 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer01_M11_augccpVDZr.in
 Output=09_L-alanine_conformer01_M11_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/09_L-alanine/Gau-3450.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3451.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=09_L-alanine_conformer01_M11_augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:07:39 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer01_M11_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.427002000000     -1.177442000000     -0.238479000000
  C                                                -0.641972000000     -0.024738000000      0.376681000000
  C                                                 0.861565000000     -0.144798000000      0.057109000000
  O                                                 1.452963000000     -1.189459000000      0.072265000000
  N                                                -1.120167000000      1.316111000000      0.005085000000
  O                                                 1.454628000000      1.025837000000     -0.203694000000
  H                                                -0.696010000000     -0.097667000000      1.466774000000
  H                                                -2.464827000000     -1.153806000000      0.096525000000
  H                                                -1.412823000000     -1.109205000000     -1.329075000000
  H                                                -0.983233000000     -2.130910000000      0.041168000000
  H                                                -1.537883000000      1.311542000000     -0.918614000000
  H                                                -1.812681000000      1.664603000000      0.653772000000
  H                                                 0.732350000000      1.693512000000     -0.166585000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 19:07:40 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427002   -1.177442   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144798    0.057109
      4          8           0        1.452963   -1.189459    0.072265
      5          7           0       -1.120167    1.316111    0.005085
      6          8           0        1.454628    1.025837   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464827   -1.153806    0.096525
      9          1           0       -1.412823   -1.109205   -1.329075
     10          1           0       -0.983233   -2.130910    0.041168
     11          1           0       -1.537883    1.311542   -0.918614
     12          1           0       -1.812681    1.664603    0.653772
     13          1           0        0.732350    1.693512   -0.166585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524277   0.000000
     3  C    2.528095   1.541805   0.000000
     4  O    2.896706   2.416195   1.200541   0.000000
     5  N    2.524139   1.471268   2.462564   3.592129   0.000000
     6  O    3.627594   2.415838   1.337957   2.232419   2.599503
     7  H    2.146660   1.093865   2.101289   2.784735   2.077309
     8  H    1.090810   2.162425   3.476282   3.918027   2.813710
     9  H    1.092821   2.163304   2.832742   3.191069   2.783485
    10  H    1.088225   2.159858   2.710752   2.611962   3.449929
    11  H    2.582619   2.065451   2.971584   4.022687   1.013769
    12  H    3.003678   2.073936   3.283524   4.375871   1.010850
    13  H    3.593097   2.266337   1.856373   2.981250   1.898347
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.945839   0.000000
     8  H    4.494786   2.474212   0.000000
     9  H    3.747954   3.058399   1.772297   0.000000
    10  H    3.996020   2.499785   1.775646   1.762383   0.000000
    11  H    3.089961   2.895634   2.822707   2.458482   3.616531
    12  H    3.437816   2.239090   2.946056   3.433013   3.933089
    13  H    0.984303   2.813609   4.289334   3.715962   4.196736
                   11         12         13
    11  H    0.000000
    12  H    1.634798   0.000000
    13  H    2.421860   2.674136   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.33D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427003   -1.177441   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144799    0.057109
      4          8           0        1.452962   -1.189460    0.072265
      5          7           0       -1.120166    1.316112    0.005085
      6          8           0        1.454629    1.025836   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464828   -1.153804    0.096525
      9          1           0       -1.412824   -1.109204   -1.329075
     10          1           0       -0.983234   -2.130909    0.041168
     11          1           0       -1.537882    1.311543   -0.918614
     12          1           0       -1.812680    1.664604    0.653772
     13          1           0        0.732351    1.693511   -0.166585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.8847515           3.4338653           2.1618198
 Leave Link  202 at Thu Aug 12 19:07:40 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  18 primitive shells out of 224 were deleted.
 There are   213 symmetry adapted cartesian basis functions of A   symmetry.
 There are   201 symmetry adapted basis functions of A   symmetry.
   201 basis functions,   366 primitive gaussians,   213 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.1931013526 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 19:07:43 2021, MaxMem=  5368709120 cpu:              16.3 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   201 RedAO= T EigKep=  2.48D-05  NBF=   201
 NBsUse=   201 1.00D-06 EigRej= -1.00D+00 NBFU=   201
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   213   213   213   213   213 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 19:07:43 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:07:44 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer01_M11_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:07:44 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368614535 LenY=  5368568725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.633755295333    
 DIIS: error= 3.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.633755295333     IErMin= 1 ErrMin= 3.18D-03
 ErrMax= 3.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-02 BMatP= 1.01D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.440 Goal=   None    Shift=    0.000
 GapD=    0.440 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.95D-03 MaxDP=2.85D-01              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.94D-03    CP:  9.93D-01
 E= -323.643150254387     Delta-E=       -0.009394959054 Rises=F Damp=F
 DIIS: error= 1.32D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.643150254387     IErMin= 2 ErrMin= 1.32D-03
 ErrMax= 1.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-04 BMatP= 1.01D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.32D-02
 Coeff-Com:  0.177D-01 0.982D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.174D-01 0.983D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.42D-03 MaxDP=5.74D-02 DE=-9.39D-03 OVMax= 7.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.35D-04    CP:  9.95D-01  1.14D+00
 E= -323.643430075164     Delta-E=       -0.000279820776 Rises=F Damp=F
 DIIS: error= 1.22D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.643430075164     IErMin= 3 ErrMin= 1.22D-03
 ErrMax= 1.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-04 BMatP= 5.83D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.22D-02
 Coeff-Com: -0.535D-01 0.507D+00 0.547D+00
 Coeff-En:   0.000D+00 0.261D+00 0.739D+00
 Coeff:     -0.528D-01 0.504D+00 0.549D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.82D-04 MaxDP=9.83D-03 DE=-2.80D-04 OVMax= 4.39D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.79D-04    CP:  9.94D-01  1.17D+00  1.10D+00
 E= -323.643785873519     Delta-E=       -0.000355798355 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.643785873519     IErMin= 4 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.90D-06 BMatP= 5.37D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com: -0.109D-01 0.322D-01 0.105D+00 0.873D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.109D-01 0.322D-01 0.105D+00 0.874D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.24D-04 MaxDP=5.20D-03 DE=-3.56D-04 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.41D-05    CP:  9.94D-01  1.18D+00  1.20D+00  1.14D+00
 E= -323.643796298631     Delta-E=       -0.000010425112 Rises=F Damp=F
 DIIS: error= 8.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.643796298631     IErMin= 5 ErrMin= 8.65D-05
 ErrMax= 8.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-06 BMatP= 9.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-02-0.595D-01-0.370D-01 0.415D+00 0.678D+00
 Coeff:      0.301D-02-0.595D-01-0.370D-01 0.415D+00 0.678D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.42D-05 MaxDP=1.88D-03 DE=-1.04D-05 OVMax= 6.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.19D-05    CP:  9.94D-01  1.18D+00  1.23D+00  1.22D+00  1.21D+00
 E= -323.643799605019     Delta-E=       -0.000003306388 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.643799605019     IErMin= 6 ErrMin= 2.11D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-07 BMatP= 3.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-02-0.296D-01-0.295D-01 0.877D-01 0.290D+00 0.679D+00
 Coeff:      0.260D-02-0.296D-01-0.295D-01 0.877D-01 0.290D+00 0.679D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.19D-05 MaxDP=4.85D-04 DE=-3.31D-06 OVMax= 1.89D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.46D-06    CP:  9.94D-01  1.18D+00  1.24D+00  1.23D+00  1.30D+00
                    CP:  1.21D+00
 E= -323.643799941732     Delta-E=       -0.000000336713 Rises=F Damp=F
 DIIS: error= 4.69D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.643799941732     IErMin= 7 ErrMin= 4.69D-06
 ErrMax= 4.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-08 BMatP= 3.50D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-03 0.192D-02-0.130D-02-0.386D-01-0.317D-01 0.144D+00
 Coeff-Com:  0.925D+00
 Coeff:      0.140D-03 0.192D-02-0.130D-02-0.386D-01-0.317D-01 0.144D+00
 Coeff:      0.925D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.83D-06 MaxDP=3.33D-04 DE=-3.37D-07 OVMax= 9.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.41D-06    CP:  9.94D-01  1.18D+00  1.24D+00  1.24D+00  1.36D+00
                    CP:  1.34D+00  1.31D+00
 E= -323.643799979522     Delta-E=       -0.000000037791 Rises=F Damp=F
 DIIS: error= 1.87D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.643799979522     IErMin= 8 ErrMin= 1.87D-06
 ErrMax= 1.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-09 BMatP= 1.99D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-03 0.254D-02 0.205D-02-0.150D-01-0.277D-01-0.246D-01
 Coeff-Com:  0.192D+00 0.871D+00
 Coeff:     -0.156D-03 0.254D-02 0.205D-02-0.150D-01-0.277D-01-0.246D-01
 Coeff:      0.192D+00 0.871D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.19D-06 MaxDP=1.04D-04 DE=-3.78D-08 OVMax= 3.07D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.47D-07    CP:  9.94D-01  1.18D+00  1.23D+00  1.24D+00  1.37D+00
                    CP:  1.38D+00  1.44D+00  1.34D+00
 E= -323.643799982837     Delta-E=       -0.000000003315 Rises=F Damp=F
 DIIS: error= 8.29D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.643799982837     IErMin= 9 ErrMin= 8.29D-07
 ErrMax= 8.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-10 BMatP= 1.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.675D-04 0.639D-03 0.916D-03-0.832D-03-0.578D-02-0.284D-01
 Coeff-Com: -0.474D-01 0.324D+00 0.757D+00
 Coeff:     -0.675D-04 0.639D-03 0.916D-03-0.832D-03-0.578D-02-0.284D-01
 Coeff:     -0.474D-01 0.324D+00 0.757D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.81D-07 MaxDP=4.01D-05 DE=-3.31D-09 OVMax= 1.24D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.22D-07    CP:  9.94D-01  1.18D+00  1.23D+00  1.24D+00  1.38D+00
                    CP:  1.39D+00  1.48D+00  1.47D+00  1.09D+00
 E= -323.643799983440     Delta-E=       -0.000000000603 Rises=F Damp=F
 DIIS: error= 2.09D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.643799983440     IErMin=10 ErrMin= 2.09D-07
 ErrMax= 2.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-11 BMatP= 3.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.847D-05-0.207D-03-0.102D-03 0.169D-02 0.275D-02-0.841D-03
 Coeff-Com: -0.270D-01-0.657D-01 0.822D-01 0.101D+01
 Coeff:      0.847D-05-0.207D-03-0.102D-03 0.169D-02 0.275D-02-0.841D-03
 Coeff:     -0.270D-01-0.657D-01 0.822D-01 0.101D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.67D-07 MaxDP=1.51D-05 DE=-6.03D-10 OVMax= 5.51D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.22D-08    CP:  9.94D-01  1.18D+00  1.23D+00  1.24D+00  1.38D+00
                    CP:  1.39D+00  1.49D+00  1.52D+00  1.21D+00  1.37D+00
 E= -323.643799983495     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 6.47D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.643799983495     IErMin=11 ErrMin= 6.47D-08
 ErrMax= 6.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-12 BMatP= 2.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-05-0.111D-03-0.122D-03 0.431D-03 0.119D-02 0.263D-02
 Coeff-Com: -0.952D-03-0.464D-01-0.576D-01 0.215D+00 0.885D+00
 Coeff:      0.915D-05-0.111D-03-0.122D-03 0.431D-03 0.119D-02 0.263D-02
 Coeff:     -0.952D-03-0.464D-01-0.576D-01 0.215D+00 0.885D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.12D-08 MaxDP=3.72D-06 DE=-5.47D-11 OVMax= 1.78D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.19D-08    CP:  9.94D-01  1.18D+00  1.23D+00  1.24D+00  1.38D+00
                    CP:  1.39D+00  1.49D+00  1.53D+00  1.24D+00  1.52D+00
                    CP:  1.18D+00
 E= -323.643799983497     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -323.643799983497     IErMin=12 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-13 BMatP= 2.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.875D-07 0.102D-04-0.495D-05-0.141D-03-0.156D-03 0.430D-03
 Coeff-Com:  0.287D-02 0.140D-02-0.168D-01-0.847D-01 0.107D+00 0.990D+00
 Coeff:      0.875D-07 0.102D-04-0.495D-05-0.141D-03-0.156D-03 0.430D-03
 Coeff:      0.287D-02 0.140D-02-0.168D-01-0.847D-01 0.107D+00 0.990D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.01D-08 MaxDP=7.51D-07 DE=-2.39D-12 OVMax= 7.25D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.94D-09    CP:  9.94D-01  1.18D+00  1.23D+00  1.24D+00  1.38D+00
                    CP:  1.39D+00  1.49D+00  1.53D+00  1.24D+00  1.56D+00
                    CP:  1.28D+00  1.18D+00
 E= -323.643799983500     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 8.56D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -323.643799983500     IErMin=13 ErrMin= 8.56D-09
 ErrMax= 8.56D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-14 BMatP= 2.58D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.902D-06 0.126D-04 0.117D-04-0.644D-04-0.143D-03-0.181D-03
 Coeff-Com:  0.527D-03 0.471D-02 0.334D-02-0.333D-01-0.748D-01 0.142D+00
 Coeff-Com:  0.958D+00
 Coeff:     -0.902D-06 0.126D-04 0.117D-04-0.644D-04-0.143D-03-0.181D-03
 Coeff:      0.527D-03 0.471D-02 0.334D-02-0.333D-01-0.748D-01 0.142D+00
 Coeff:      0.958D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.70D-09 MaxDP=1.84D-07 DE=-2.73D-12 OVMax= 2.81D-07

 SCF Done:  E(RM11) =  -323.643799984     A.U. after   13 cycles
            NFock= 13  Conv=0.47D-08     -V/T= 2.0071
 KE= 3.213762235778D+02 PE=-1.257307700338D+03 EE= 3.620945754239D+02
 Leave Link  502 at Thu Aug 12 19:09:22 2021, MaxMem=  5368709120 cpu:             775.1 elap:              97.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   201
 NBasis=   201 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    201 NOA=    24 NOB=    24 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.48488707D+02

 Leave Link  801 at Thu Aug 12 19:09:22 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4022 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.08D-14 8.33D-09 XBig12= 1.00D+00 2.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.08D-14 8.33D-09 XBig12= 1.79D-01 6.80D-02.
     11 vectors produced by pass  2 Test12= 7.08D-14 8.33D-09 XBig12= 2.69D-02 3.68D-02.
     11 vectors produced by pass  3 Test12= 7.08D-14 8.33D-09 XBig12= 2.28D-03 9.44D-03.
     11 vectors produced by pass  4 Test12= 7.08D-14 8.33D-09 XBig12= 1.11D-04 1.41D-03.
     11 vectors produced by pass  5 Test12= 7.08D-14 8.33D-09 XBig12= 4.10D-06 2.57D-04.
     11 vectors produced by pass  6 Test12= 7.08D-14 8.33D-09 XBig12= 9.05D-08 3.59D-05.
     11 vectors produced by pass  7 Test12= 7.08D-14 8.33D-09 XBig12= 1.38D-09 5.90D-06.
     11 vectors produced by pass  8 Test12= 7.08D-14 8.33D-09 XBig12= 2.85D-11 7.87D-07.
      7 vectors produced by pass  9 Test12= 7.08D-14 8.33D-09 XBig12= 3.73D-13 7.59D-08.
      1 vectors produced by pass 10 Test12= 7.08D-14 8.33D-09 XBig12= 4.85D-15 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-15
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.598907D+02
      2 -0.108443D+01  0.616902D+02
      3 -0.404666D+00 -0.546222D+00  0.453449D+02
 Isotropic polarizability for W=    0.093368       55.64 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.439689D+02 -0.359023D+00 -0.937865D+00
      2   0.270410D+02 -0.769105D+01  0.114367D+01
      3   0.169279D+02  0.805007D+01 -0.205805D+00
      4  -0.123837D+02 -0.215800D+02 -0.563467D+01
      5  -0.107443D+01 -0.685223D+01 -0.421785D+02
      6  -0.430787D+01 -0.218092D+01 -0.702807D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.578874D+00  0.226422D+01  0.581220D+01
      2  -0.323337D+01 -0.176013D+01 -0.192778D+02
      3   0.247010D+01  0.112707D+02  0.126632D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.121756D+01 -0.332459D+01  0.150781D+02
      2   0.136562D+00 -0.132680D+01 -0.591063D+02
      3  -0.120246D+02  0.486210D+02  0.254436D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.551298D+00 -0.156216D+00 -0.168889D+01
      2  -0.156216D+00  0.590896D+00  0.691121D+00
      3  -0.168889D+01  0.691121D+00  0.454605D-01
 OR G Eigenvalues:    -2.0103     0.2969     1.7985  Iso=    -0.0284
 Eigenvectors:
   (1)   0.744426  -0.129338   0.655058
   (2)   0.399009   0.872791  -0.281117
   (3)  -0.535370   0.470645   0.701336
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0284 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =      -17.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20301 ScalPx= 6.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.83D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.96D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 2.35D-02 3.54D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 6.20D-04 3.42D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 9.69D-06 3.59D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 9.92D-08 5.13D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 9.12D-10 3.44D-06.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 8.41D-12 3.05D-07.
     30 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 5.51D-14 2.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.21D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20301 ScalPx= 2.21D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20301 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.44D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.598907D+02 -0.108443D+01 -0.404666D+00
      2  -0.108443D+01  0.616902D+02 -0.546222D+00
      3  -0.404666D+00 -0.546222D+00  0.453449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.578874D+00  0.226422D+01  0.581220D+01
      2  -0.323337D+01 -0.176013D+01 -0.192778D+02
      3   0.247010D+01  0.112707D+02  0.126632D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439689D+02 -0.359023D+00 -0.937865D+00
      2   0.270410D+02 -0.769105D+01  0.114367D+01
      3   0.169279D+02  0.805007D+01 -0.205805D+00
      4  -0.123837D+02 -0.215800D+02 -0.563467D+01
      5  -0.107443D+01 -0.685223D+01 -0.421785D+02
      6  -0.430787D+01 -0.218092D+01 -0.702807D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.562711D+01 -0.451642D+00 -0.248589D+01 -0.157201D+01 -0.345666D+01
      2  -0.451642D+00 -0.442663D+01 -0.201084D+00 -0.345666D+01  0.252675D+01
      3  -0.248589D+01 -0.201084D+00  0.122885D+00 -0.336302D+00 -0.212090D+01
                 6             7             8             9            10 
      1  -0.336302D+00 -0.311171D+01 -0.706123D+00  0.463044D+00 -0.468508D+01
      2  -0.212090D+01 -0.706123D+00 -0.260012D+01 -0.380232D-01  0.108509D+01
      3  -0.286406D+00  0.463044D+00 -0.380232D-01  0.733541D+01  0.839692D+00
                11            12            13            14            15 
      1   0.108509D+01  0.839692D+00  0.172407D+01  0.286040D+01  0.415851D+00
      2   0.388690D+01  0.420719D+00  0.286040D+01 -0.127699D+01  0.122488D+01
      3   0.420719D+00  0.877092D-01  0.415851D+00  0.122488D+01  0.764169D+00
                16            17            18            19            20 
      1   0.805771D+00  0.964416D+00  0.347231D+00  0.339779D+01  0.909848D+00
      2   0.964416D+00  0.206952D+01  0.280232D+00  0.909848D+00 -0.308906D+01
      3   0.347231D+00  0.280232D+00 -0.739480D+01 -0.140498D+00  0.175781D+00
                21            22            23            24            25 
      1  -0.140498D+00  0.185845D+01 -0.368502D+01  0.183278D+00 -0.740628D+00
      2   0.175781D+00 -0.368502D+01  0.331988D+01 -0.312065D-01  0.368449D+00
      3   0.401373D+00  0.183278D+00 -0.312065D-01  0.491066D+00  0.121758D+00
                26            27            28            29            30 
      1   0.368449D+00  0.121758D+00  0.538198D+01 -0.421951D+01  0.235328D+00
      2  -0.463496D+00  0.216321D+00 -0.421951D+01  0.400665D+01 -0.269455D+00
      3   0.216321D+00  0.533166D+00  0.235328D+00 -0.269455D+00  0.929945D+00
                31            32            33            34            35 
      1  -0.432100D+01  0.378338D+01 -0.201816D-01  0.339980D+00  0.117646D-01
      2   0.378338D+01 -0.101114D+02  0.150227D+00  0.117646D-01  0.552830D-01
      3  -0.201816D-01  0.150227D+00 -0.212902D+01  0.199222D+01 -0.274569D+01
                36            37            38            39            40 
      1   0.199222D+01  0.298300D+01 -0.151514D+01 -0.822595D+00 -0.152395D+01
      2  -0.274569D+01 -0.151514D+01 -0.590779D+00  0.363579D+00 -0.766254D+00
      3   0.143618D+00 -0.822595D+00  0.363579D+00  0.273128D+01  0.464111D+00
                41            42            43            44            45 
      1  -0.766254D+00  0.464111D+00 -0.102595D+01  0.657198D+00  0.297036D+01
      2   0.551198D+01 -0.894115D+00  0.657198D+00 -0.110785D+01 -0.138877D+00
      3  -0.894115D+00 -0.241852D+00  0.297036D+01 -0.138877D+00  0.295936D+01
                46            47            48            49            50 
      1   0.699220D+01  0.168471D+01 -0.704237D+00 -0.182034D+01  0.339544D+01
      2   0.168471D+01  0.330160D+01 -0.330765D+00  0.339544D+01  0.252015D+01
      3  -0.704237D+00 -0.330765D+00  0.694215D+00 -0.112433D-01 -0.365396D+00
                51            52            53            54            55 
      1  -0.112433D-01 -0.766650D+00 -0.442933D+00  0.124791D+01  0.244136D+00
      2  -0.365396D+00 -0.442933D+00 -0.327930D+00  0.176866D+01 -0.200086D+00
      3   0.757787D+00  0.124791D+01  0.176866D+01 -0.106823D+01  0.105489D+01
                56            57            58            59            60 
      1  -0.200086D+00  0.105489D+01 -0.490750D+00 -0.689112D+00  0.224585D-01
      2  -0.697949D+00 -0.373728D-01 -0.689112D+00  0.669010D-01  0.115545D+01
      3  -0.373728D-01 -0.522845D+00  0.224585D-01  0.115545D+01 -0.484036D+00
                61            62            63            64            65 
      1   0.167241D+01 -0.131711D+00 -0.611347D+00 -0.967282D+01 -0.142508D+01
      2  -0.131711D+00  0.143229D+01 -0.400011D-01 -0.142508D+01 -0.133991D+01
      3  -0.611347D+00 -0.400011D-01  0.926312D+01  0.156824D+01  0.123000D+00
                66            67            68            69            70 
      1   0.156824D+01  0.129921D+00 -0.926559D+00  0.136358D+00  0.242114D+01
      2   0.123000D+00 -0.926559D+00 -0.660837D+00  0.548962D+00  0.403442D+00
      3  -0.157292D+01  0.136358D+00  0.548962D+00  0.934877D-01 -0.154581D+01
                71            72            73            74            75 
      1   0.403442D+00 -0.154581D+01 -0.802940D+00 -0.119447D+00 -0.773245D+00
      2   0.974551D+00 -0.229633D+00 -0.119447D+00  0.545821D+00  0.488057D-01
      3  -0.229633D+00  0.350455D+00 -0.773245D+00  0.488057D-01  0.515572D-01
                76            77            78            79            80 
      1   0.338413D+00  0.225200D+00  0.137177D+00 -0.131699D+01 -0.353742D+00
      2   0.225200D+00 -0.463531D+00 -0.842722D+00 -0.353742D+00 -0.167031D+01
      3   0.137177D+00 -0.842722D+00  0.293806D+00 -0.999446D+00 -0.957930D+00
                81            82            83            84            85 
      1  -0.999446D+00  0.780388D+00 -0.776701D+00  0.543787D+00 -0.140361D+01
      2  -0.957930D+00 -0.776701D+00  0.233637D+01 -0.116598D+00  0.101780D+01
      3  -0.881434D+01  0.543787D+00 -0.116598D+00  0.619631D+00 -0.204584D+00
                86            87            88            89            90 
      1   0.101780D+01 -0.204584D+00  0.788011D+00  0.434796D-01  0.195611D+00
      2  -0.823505D+01  0.107123D+01  0.434796D-01  0.169031D+01 -0.120086D+01
      3   0.107123D+01 -0.132254D+01  0.195611D+00 -0.120086D+01  0.545220D-01
                91            92            93            94            95 
      1  -0.158750D+01  0.107127D+01 -0.137427D+01  0.772683D+00 -0.214570D+00
      2   0.107127D+01 -0.629604D+00  0.629021D+00 -0.214570D+00  0.640640D+00
      3  -0.137427D+01  0.629021D+00 -0.190154D+01  0.288602D+00 -0.429638D+00
                96            97            98            99           100 
      1   0.288602D+00 -0.263473D+01  0.684320D+00 -0.249380D+01 -0.450959D+01
      2  -0.429638D+00  0.684320D+00 -0.180163D+01  0.109268D+01  0.269597D+01
      3   0.197106D+00 -0.249380D+01  0.109268D+01 -0.529548D+01  0.167775D+01
               101           102           103           104           105 
      1   0.269597D+01  0.167775D+01  0.279450D+01 -0.150312D+01 -0.914939D+00
      2  -0.226936D+01 -0.103851D+01 -0.150312D+01  0.188961D+01  0.754345D+00
      3  -0.103851D+01 -0.176364D+01 -0.914939D+00  0.754345D+00  0.952095D+00
               106           107           108           109           110 
      1   0.320263D+01 -0.147926D+01 -0.203522D+01 -0.414867D+01  0.126071D+01
      2  -0.147926D+01  0.181857D+01  0.134240D+01  0.126071D+01 -0.103406D+01
      3  -0.203522D+01  0.134240D+01  0.217208D+01  0.381052D+00  0.232882D+00
               111           112           113           114           115 
      1   0.381052D+00  0.351363D+01 -0.409247D-01 -0.160586D+00  0.366718D+00
      2   0.232882D+00 -0.409247D-01  0.427193D+01 -0.221114D+00 -0.193010D-01
      3   0.122347D+00 -0.160586D+00 -0.221114D+00  0.914334D+00  0.347487D+00
               116           117 
      1  -0.193010D-01  0.347487D+00
      2  -0.691930D-01  0.650718D+00
      3   0.650718D+00 -0.238891D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.445876D+01 -0.831786D-02 -0.352910D+00 -0.752073D+00 -0.696582D+01
      2   0.651682D+01  0.165173D+01  0.142393D+01  0.193923D+01  0.295047D+01
      3  -0.880264D+01 -0.989717D+01  0.315038D+01 -0.120630D+01  0.126882D+02
                 6             7             8             9            10 
      1  -0.279544D+01  0.124661D+01  0.240134D+01  0.946021D+01  0.117117D+01
      2   0.787620D+00 -0.355135D+01 -0.186333D+00 -0.103177D+02  0.110251D+01
      3  -0.328264D+01  0.334325D+01 -0.356812D+01 -0.992600D+00  0.434291D+01
                11            12            13            14            15 
      1   0.101589D+01 -0.235382D+00  0.167794D+01  0.717805D+00  0.478907D+00
      2   0.138262D+01  0.351023D+01 -0.140674D+01 -0.359003D+01 -0.113557D+01
      3  -0.240262D+01 -0.129871D+01  0.179302D+01 -0.275041D+01  0.161123D+01
                16            17            18            19            20 
      1   0.432858D-01  0.537435D+01 -0.103214D+01  0.103262D+00  0.867058D+00
      2  -0.328373D+01 -0.615155D+00  0.271902D+01 -0.514678D+01 -0.177190D+01
      3   0.589496D+00  0.282285D+01 -0.322939D+00  0.295737D+01  0.263736D+01
                21            22            23            24            25 
      1  -0.125294D+01  0.208700D+01  0.107145D+01  0.760135D+01  0.270059D+01
      2  -0.614551D+01 -0.152197D+01  0.112608D+01  0.283326D+01 -0.184135D+02
      3   0.840487D+00  0.279920D+01 -0.630423D+01 -0.186177D+01 -0.161878D+00
                26            27            28            29            30 
      1   0.951631D+01 -0.211527D+01 -0.330701D+00  0.491837D+00  0.417954D+01
      2  -0.778583D+00  0.354964D+01 -0.801566D-01  0.939932D-01  0.709413D+01
      3  -0.284361D+01 -0.746173D+00 -0.211887D+01 -0.815911D+01  0.792987D-01
                31            32            33            34            35 
      1  -0.271881D+00 -0.780840D+00 -0.851791D+01 -0.706987D+00  0.170344D+01
      2   0.176350D+01 -0.291540D+00 -0.453955D+01  0.318774D+01 -0.212971D+01
      3   0.604558D+01  0.135931D+02  0.327057D+00  0.652705D+00  0.535349D+00
                36            37            38            39            40 
      1   0.364769D+00  0.211180D+01 -0.164063D+01 -0.542716D+01 -0.274609D+01
      2  -0.104439D+01  0.181287D+01 -0.229240D+01  0.698976D+00 -0.125603D+01
      3   0.315741D+01  0.426190D+01 -0.105080D+02 -0.165707D+00  0.157647D+01
                41            42            43            44            45 
      1   0.292290D+01 -0.443498D+01 -0.730819D+01  0.522380D+01 -0.455771D+01
      2   0.182525D+01  0.935506D+00 -0.717024D+01  0.140132D+01 -0.245236D+01
      3   0.284799D+01  0.221588D+00 -0.141235D+01  0.235505D+00  0.589991D+01
                46            47            48            49            50 
      1   0.128005D+01 -0.114341D+01 -0.333801D+01 -0.739080D+00  0.472077D+00
      2   0.186092D+01 -0.359932D+00  0.595500D+01 -0.872469D+00 -0.369848D+00
      3   0.129453D+02 -0.124932D+02 -0.464633D+00 -0.763358D+01  0.953151D+00
                51            52            53            54            55 
      1  -0.492425D+01 -0.252392D+01  0.133330D+01  0.142930D+01  0.884386D-01
      2   0.911296D+00  0.398490D+01  0.233708D+01 -0.232816D+01 -0.120053D+00
      3   0.721443D+00 -0.136160D+01  0.185841D+01 -0.157058D+01 -0.721593D+00
                56            57            58            59            60 
      1  -0.704976D+00 -0.299784D+00 -0.778988D+00  0.228165D+00 -0.519543D+00
      2  -0.203653D+00  0.307426D+00  0.191623D+00  0.102048D+00  0.608802D+00
      3  -0.122926D+01  0.110171D+00  0.814360D+00  0.479351D+00  0.817414D+00
                61            62            63            64            65 
      1  -0.562043D+00  0.309095D+01  0.115251D+01  0.180280D+01 -0.567937D-01
      2  -0.243694D+01  0.362878D+00 -0.558796D+01 -0.388672D+01 -0.130084D+00
      3  -0.364939D+00  0.801710D+00  0.981847D-01  0.106298D+02 -0.331581D+01
                66            67            68            69            70 
      1  -0.222346D+01  0.237521D+00  0.743504D+00 -0.584442D+00 -0.170376D+01
      2   0.560569D+01 -0.359071D+00 -0.858283D+00 -0.294726D+00  0.168829D+01
      3  -0.223263D+01 -0.190946D+00 -0.870408D-02  0.817665D+00 -0.240392D+01
                71            72            73            74            75 
      1   0.720442D+00  0.421375D+00 -0.872220D+00 -0.265894D+00 -0.225907D+00
      2   0.139097D+00 -0.129769D+01  0.944808D+00 -0.707455D-01  0.696274D+00
      3   0.185263D+01  0.154735D+01  0.796535D+00  0.197405D+00  0.979402D+00
                76            77            78            79            80 
      1  -0.607130D-01 -0.110610D+01 -0.462730D+00 -0.970506D+00  0.257453D+01
      2  -0.798818D-01  0.120521D+01 -0.241003D+00 -0.194048D+01  0.995962D+00
      3   0.808868D+00 -0.109208D+01 -0.113924D+01  0.150664D+01 -0.227808D+01
                81            82            83            84            85 
      1  -0.117953D+02  0.123042D+01 -0.539696D+00  0.166797D+01 -0.857597D+00
      2   0.133976D+02 -0.840029D+00 -0.149217D+00 -0.185479D+00  0.197958D+00
      3   0.308361D-01 -0.437012D+01  0.472974D+01 -0.142943D+01  0.685819D+01
                86            87            88            89            90 
      1   0.325655D+01 -0.438286D+01  0.510834D+00 -0.790916D+00  0.455285D+00
      2  -0.104770D+01  0.139482D+01 -0.123668D+01  0.125926D+01  0.417346D-01
      3  -0.148064D+02  0.240483D+01 -0.184270D+01  0.278529D+01 -0.206434D+01
                91            92            93            94            95 
      1   0.241926D+01 -0.442661D+00  0.377682D+01 -0.407974D+00  0.132345D+01
      2   0.618542D+00 -0.673681D+00  0.287308D+01 -0.432192D+00  0.357761D+00
      3  -0.121155D+01  0.213011D+00 -0.141720D+01  0.177752D+01  0.138660D+00
                96            97            98            99           100 
      1  -0.777307D+00  0.517241D+01  0.777682D-01  0.942153D+01 -0.310261D+01
      2  -0.460774D+00  0.904014D+00 -0.154016D+01  0.617491D+01 -0.990788D+00
      3   0.149037D+00 -0.416995D+01 -0.184111D+01 -0.338949D+01 -0.485880D+01
               101           102           103           104           105 
      1   0.155650D+01  0.377780D+01  0.194474D+01 -0.929889D+00 -0.180409D+01
      2   0.143596D+01  0.304162D+01  0.100037D+01 -0.714987D+00 -0.156019D+01
      3   0.176563D+00  0.157916D+01  0.443033D+01  0.519645D+00 -0.102412D+01
               106           107           108           109           110 
      1   0.383587D+01 -0.103207D+01 -0.344942D+01 -0.144291D+01  0.871094D+00
      2   0.119507D+01 -0.157709D+01 -0.295181D+01 -0.199319D+01  0.813641D+00
      3   0.471094D+01  0.445248D+00 -0.209396D+01 -0.133102D+02  0.920415D+01
               111           112           113           114           115 
      1  -0.465741D-01  0.868439D+00 -0.679584D+00 -0.155469D+01 -0.274322D+00
      2  -0.219740D+01  0.835684D+00 -0.694430D+00  0.760520D+00 -0.286872D+01
      3   0.543670D+00  0.120689D+02 -0.679853D+01  0.353441D-01  0.914295D+00
               116           117 
      1   0.653633D+00 -0.293466D-01
      2   0.871718D+00  0.299313D+00
      3  -0.806063D+00  0.446399D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317007D+02 -0.837491D+01  0.109057D+02 -0.306401D+01  0.152864D+02
      2   0.156618D+02  0.124099D+02 -0.611102D+01  0.759946D+01 -0.169594D+02
      3   0.160389D+02 -0.403498D+01 -0.479472D+01 -0.453545D+01  0.167298D+01
      4  -0.105259D+02  0.992693D+01  0.606716D+01  0.127539D+02  0.481828D+01
      5   0.104932D+02  0.162498D+01 -0.862372D-01  0.181116D+01  0.697189D+01
      6   0.786413D+01  0.149512D+01  0.163221D+00  0.176837D+01  0.895395D+01
                 6             7             8             9            10 
      1  -0.331704D+01  0.136872D+02 -0.140636D+01  0.533029D+01  0.542902D+01
      2   0.588976D+01 -0.505000D+01  0.609210D+01  0.869573D+01 -0.145436D+01
      3  -0.257273D+01 -0.863722D+01 -0.468574D+01 -0.140260D+02 -0.397465D+01
      4   0.532435D+01  0.816673D+01  0.721872D+01  0.219807D+01 -0.185291D+01
      5   0.152428D+01 -0.804352D+00  0.115438D+01 -0.195782D+02 -0.248615D+01
      6   0.283558D+01 -0.334177D+00  0.777920D+00 -0.137128D+02 -0.293343D+00
                11            12            13            14            15 
      1  -0.458680D+01  0.355875D-01 -0.143066D+01 -0.232219D+00 -0.188664D+01
      2   0.438163D+01 -0.116737D+00 -0.401534D-01 -0.695721D+01  0.458701D+00
      3   0.205176D+00  0.811495D-01  0.147081D+01  0.718943D+01  0.142793D+01
      4  -0.391878D+01 -0.134512D+01 -0.150618D+02 -0.118038D+01 -0.336434D+01
      5  -0.119069D+01  0.111221D+01 -0.229141D+01 -0.249856D+01 -0.189425D+01
      6  -0.270142D+01  0.604823D+00 -0.246930D+01 -0.238203D+01 -0.493589D+01
                16            17            18            19            20 
      1  -0.642666D+01 -0.243064D+01  0.913371D+01 -0.831267D+01 -0.187358D+01
      2  -0.413811D+00  0.174306D+01  0.106338D+02  0.391528D+00  0.437762D+01
      3   0.684047D+01  0.687580D+00 -0.197675D+02  0.792114D+01 -0.250404D+01
      4  -0.166489D+01 -0.658574D+01 -0.241264D+01  0.770285D+01 -0.189287D+02
      5  -0.944415D+00 -0.899131D+00  0.122465D+02 -0.147179D+01  0.216069D+01
      6  -0.924843D+00  0.917439D+00  0.243445D+01 -0.320764D+00  0.502963D+00
                21            22            23            24            25 
      1  -0.222669D+01  0.995438D+01 -0.909146D+00 -0.330657D+00  0.160207D+01
      2  -0.128814D+01 -0.474726D+01 -0.753891D+01 -0.185052D+01 -0.237478D+01
      3   0.351484D+01 -0.520712D+01  0.844806D+01  0.218118D+01  0.772711D+00
      4   0.100316D+01 -0.218701D+02  0.137466D+02  0.585554D+00  0.153643D+01
      5  -0.746533D+01  0.306654D+01 -0.421957D+00  0.389724D+01  0.103441D+01
      6   0.810392D+00  0.118234D+00  0.139478D+01 -0.125899D+02 -0.198878D+00
                26            27            28            29            30 
      1   0.553534D+00 -0.620053D+01  0.235510D+02 -0.700539D+01  0.635561D+00
      2   0.702199D+00 -0.537900D+01 -0.936996D+01 -0.188581D+01 -0.299281D+00
      3  -0.125573D+01  0.115795D+02 -0.141810D+02  0.889120D+01 -0.336280D+00
      4   0.399165D+01  0.211700D+01 -0.236591D+02  0.258197D+02 -0.123578D+01
      5   0.747936D+00  0.265559D+01  0.276217D+01 -0.164182D+01  0.114475D+02
      6   0.377953D+01  0.186443D+01 -0.511255D+00  0.282779D+00 -0.590228D+01
                31            32            33            34            35 
      1  -0.951701D+01 -0.561957D+01 -0.351770D+00  0.315619D+00  0.301135D+00
      2  -0.148086D+01  0.204418D+02  0.953398D+00  0.428420D+00  0.468271D+00
      3   0.109979D+02 -0.148222D+02 -0.601628D+00 -0.744040D+00 -0.769405D+00
      4   0.269775D+02 -0.363638D+02  0.900645D+00 -0.282928D+00 -0.307738D+00
      5  -0.193169D+01  0.212632D+01 -0.909661D+01  0.120291D+02 -0.932723D+01
      6   0.660340D+00 -0.211885D+00  0.131607D+02 -0.495805D+01  0.104671D+02
                36            37            38            39            40 
      1   0.219282D+00  0.348490D+01  0.993832D+01  0.179798D+01  0.870362D+01
      2  -0.177026D+01 -0.387188D+01 -0.810471D+01  0.203729D+01 -0.555968D+01
      3   0.155098D+01  0.386972D+00 -0.183361D+01 -0.383527D+01 -0.314394D+01
      4  -0.961304D+01  0.122527D+02 -0.183793D+00 -0.329830D+01  0.557918D+01
      5   0.679831D+00  0.348027D+01 -0.300925D+01 -0.619712D+01 -0.230858D+01
      6  -0.651323D+00 -0.412179D+01  0.356854D+01  0.830272D+01  0.349925D+01
                41            42            43            44            45 
      1  -0.120678D+02 -0.104551D+00  0.149793D+01 -0.154172D+01 -0.102198D+02
      2   0.236093D+02 -0.219741D+01  0.319587D+01 -0.246566D+01  0.651674D+01
      3  -0.115415D+02  0.230196D+01 -0.469380D+01  0.400739D+01  0.370310D+01
      4  -0.110481D+02  0.363056D+01 -0.563285D+01  0.456042D+01  0.893476D+01
      5   0.258522D+01  0.144183D+01 -0.710988D+01  0.379094D+01 -0.794221D+01
      6  -0.358140D+01  0.513620D+01  0.112965D+02  0.227861D+01  0.528630D+01
                46            47            48            49            50 
      1   0.218916D+02  0.353288D+01 -0.869631D-01 -0.273630D+01  0.521574D+00
      2  -0.120300D+02  0.300462D+01  0.148664D+01  0.694655D+01  0.722834D+01
      3  -0.986164D+01 -0.653750D+01 -0.139968D+01 -0.421025D+01 -0.774992D+01
      4   0.218860D+02  0.188796D+02 -0.164302D+01  0.133356D+02  0.145060D+02
      5  -0.258379D+01 -0.976820D+00  0.109866D+02  0.440773D-01 -0.138246D+01
      6  -0.138441D+01 -0.823460D+00  0.535144D+01 -0.816663D+00 -0.193379D+01
                51            52            53            54            55 
      1   0.154500D+01  0.210903D+00  0.650874D+00 -0.424103D-01  0.503756D+00
      2  -0.294956D+00  0.118204D+01 -0.684390D+00 -0.407063D+01 -0.354196D+01
      3  -0.125004D+01 -0.139294D+01  0.335154D-01  0.411304D+01  0.303821D+01
      4  -0.118414D+01 -0.182291D+01 -0.199185D+01  0.673447D+01  0.610983D+00
      5   0.343463D+01  0.986001D+01  0.629421D+01 -0.437731D+01 -0.205331D+01
      6   0.105975D+02  0.315583D+01  0.783774D+01 -0.306318D+01 -0.702105D+00
                56            57            58            59            60 
      1   0.325600D+00 -0.175886D+01 -0.314739D+00 -0.365347D+01  0.609021D+00
      2   0.519945D-01  0.129791D+01 -0.716366D-01 -0.337827D-01  0.181213D+00
      3  -0.377594D+00  0.460950D+00  0.386375D+00  0.368726D+01 -0.790234D+00
      4   0.222616D+01 -0.334384D+00  0.360249D+01  0.422995D+00 -0.140671D+01
      5  -0.294113D+00  0.686651D+01 -0.179908D+00 -0.162587D+01  0.914607D+00
      6   0.692037D+00 -0.919162D-01  0.112985D+00 -0.776811D+00  0.708512D+01
                61            62            63            64            65 
      1   0.469747D+00  0.115827D+00 -0.182174D+02  0.521791D+02  0.475660D+01
      2   0.216658D+01  0.190631D+00 -0.182818D+02 -0.254446D+02  0.295085D+00
      3  -0.263633D+01 -0.306458D+00  0.364992D+02 -0.267345D+02 -0.505168D+01
      4  -0.758813D+00 -0.193714D+01  0.590397D+00  0.238674D+02  0.113979D+02
      5   0.592053D+01  0.727638D-01 -0.142972D+02 -0.717935D+01 -0.874475D+00
      6   0.411275D+00  0.460637D+01 -0.222384D+01 -0.463955D+01 -0.686943D+00
                66            67            68            69            70 
      1  -0.833666D+01 -0.199459D+01  0.357386D+01  0.591551D+00 -0.110474D+02
      2   0.433683D+01  0.318958D+01  0.773335D+00 -0.131877D+01  0.605366D+01
      3   0.399983D+01 -0.119499D+01 -0.434720D+01  0.727216D+00  0.499373D+01
      4  -0.383890D+01  0.794040D+01  0.328290D+01 -0.241401D+01 -0.575468D+01
      5   0.933450D+01 -0.344316D+00 -0.219549D+01 -0.425627D+00  0.984503D+01
      6   0.441598D+01 -0.715929D+00 -0.126417D+01  0.111103D+01  0.390750D+01
                71            72            73            74            75 
      1  -0.217248D+00  0.554039D+01  0.412331D+01  0.147679D+01  0.247962D+01
      2  -0.155832D+01 -0.561124D+01 -0.424078D+01 -0.177331D+01 -0.139321D+01
      3   0.177557D+01  0.708501D-01  0.117468D+00  0.296519D+00 -0.108640D+01
      4  -0.440976D+01  0.319119D+01  0.208517D+01  0.279345D+00  0.165785D+01
      5   0.122118D+01 -0.407571D+01  0.194187D+01  0.353350D+00  0.539094D+01
      6   0.187809D+01 -0.106333D+01  0.129496D+01 -0.339014D+00  0.548099D+00
                76            77            78            79            80 
      1  -0.260814D+00 -0.412945D+01 -0.143512D+01  0.291691D+01 -0.257423D+01
      2   0.220144D-01  0.231096D+01  0.270525D+01 -0.287899D+01  0.244053D+01
      3   0.238799D+00  0.181849D+01 -0.127013D+01 -0.379187D-01  0.133705D+00
      4   0.377246D+00  0.285589D+00  0.266093D+01  0.363665D+01  0.520490D+01
      5  -0.807121D+00  0.213759D+01 -0.602123D+00  0.789367D+01  0.255831D+01
      6   0.383401D+00  0.124163D+01  0.530885D+01  0.220161D+01  0.726154D+01
                81            82            83            84            85 
      1  -0.127581D+02 -0.119011D+01  0.740118D+01 -0.210924D+01  0.672116D+01
      2  -0.141693D+02  0.369405D+01 -0.103732D+02  0.196524D+01 -0.675174D+01
      3   0.269275D+02 -0.250394D+01  0.297200D+01  0.144007D+00  0.305802D-01
      4   0.176005D+01 -0.156619D+01  0.294899D+00 -0.143803D+01  0.457546D+01
      5   0.251802D+02 -0.151342D+01  0.354808D+00 -0.485605D+00  0.923214D+00
      6   0.198283D+02 -0.171256D+01  0.761597D+00 -0.255936D+01  0.461418D+00
                86            87            88            89            90 
      1  -0.236248D+02  0.336913D+01 -0.277056D+01  0.411110D+01 -0.499172D+01
      2   0.396442D+02 -0.540062D+01  0.153359D+01 -0.631627D+01  0.333011D+01
      3  -0.160194D+02  0.203149D+01  0.123697D+01  0.220517D+01  0.166161D+01
      4   0.143919D+02 -0.189293D+01 -0.225210D+01 -0.341741D+01  0.122533D+01
      5  -0.357770D+01  0.338135D+01  0.898561D+00  0.230911D+01  0.460285D+00
      6  -0.404498D+01  0.701603D+01 -0.128346D+01  0.734826D+01 -0.233118D+01
                91            92            93            94            95 
      1   0.519448D+01 -0.236184D+01  0.320397D+01 -0.253067D+01 -0.143064D+01
      2  -0.310371D+01  0.521485D+00 -0.274889D+01  0.110794D+01  0.156164D+01
      3  -0.209077D+01  0.184036D+01 -0.455073D+00  0.142273D+01 -0.131002D+00
      4  -0.648858D+01  0.513014D+01 -0.415521D+01  0.366057D+01 -0.176442D+01
      5   0.641150D+01 -0.237113D+01  0.891307D+01 -0.979421D+00  0.199829D+01
      6  -0.363207D+01  0.214304D+01 -0.596762D+01  0.186656D+01 -0.974869D+00
                96            97            98            99           100 
      1  -0.128650D+00  0.629849D+01  0.537131D+00  0.152489D+01  0.135391D+02
      2  -0.650135D+00 -0.626700D+01 -0.908359D+00 -0.862216D+01 -0.369150D+01
      3   0.778785D+00 -0.314884D-01  0.371228D+00  0.709727D+01 -0.984764D+01
      4   0.256222D+01 -0.695980D+01  0.591338D+01 -0.710981D+01 -0.180846D+02
      5  -0.102498D+01  0.104245D+02 -0.415549D+01  0.174073D+02 -0.934516D+01
      6   0.337146D+01 -0.732164D+01  0.453736D+01 -0.142323D+02  0.723926D+01
               101           102           103           104           105 
      1  -0.572426D+01 -0.461106D+01 -0.614268D+01  0.648781D+00  0.143309D+01
      2  -0.991598D+00  0.947397D+00  0.217045D+00  0.414500D+01  0.110315D+01
      3   0.671586D+01  0.366366D+01  0.592564D+01 -0.479378D+01 -0.253624D+01
      4   0.145186D+02  0.735515D+01  0.124220D+02 -0.868462D+01 -0.522236D+01
      5   0.553785D+01  0.884247D+01  0.373471D+01 -0.415149D+01 -0.311668D+01
      6  -0.530140D+01 -0.641838D+01 -0.496655D+01  0.410730D+01  0.465969D+01
               106           107           108           109           110 
      1  -0.701091D+01  0.166295D+01  0.269240D+01 -0.883869D+01  0.104952D+01
      2   0.304134D+01  0.912031D+00 -0.275294D+01  0.707423D+01 -0.119076D+01
      3   0.396957D+01 -0.257498D+01  0.605480D-01  0.176445D+01  0.141241D+00
      4   0.109862D+02 -0.851759D+01 -0.842234D+01 -0.731228D+01 -0.375184D+01
      5   0.992014D+01 -0.588027D+01 -0.900473D+01  0.113935D+01 -0.219589D+00
      6  -0.788060D+01  0.678161D+01  0.779193D+01  0.919495D+00  0.406154D+00
               111           112           113           114           115 
      1  -0.468540D+00  0.333527D+01 -0.949021D+01  0.370776D+00  0.526397D+00
      2   0.155764D+00 -0.187716D+01  0.140283D+02 -0.307366D+00 -0.347142D+00
      3   0.312776D+00 -0.145811D+01 -0.453804D+01 -0.634102D-01 -0.179255D+00
      4   0.659213D+00  0.559825D+01  0.650268D+01 -0.584446D+00  0.802973D+00
      5  -0.331469D+01 -0.737256D+00  0.342145D-01  0.156632D+01  0.923433D+00
      6   0.742876D+00 -0.306787D+00 -0.107396D+01  0.258850D+01  0.844482D+00
               116           117 
      1   0.601803D+00 -0.224084D+01
      2  -0.251674D+00  0.125107D+01
      3  -0.350129D+00  0.989766D+00
      4   0.278153D+00  0.806562D+00
      5   0.102887D+01  0.240977D+00
      6   0.321857D+01 -0.473684D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:23:36 2021, MaxMem=  5368709120 cpu:            6799.7 elap:             853.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50882 -19.45702 -14.64470 -10.56944 -10.50124
 Alpha  occ. eigenvalues --  -10.44646  -1.24392  -1.15339  -1.06462  -0.90386
 Alpha  occ. eigenvalues --   -0.79929  -0.72562  -0.67864  -0.63143  -0.60008
 Alpha  occ. eigenvalues --   -0.57970  -0.55785  -0.53899  -0.52084  -0.48514
 Alpha  occ. eigenvalues --   -0.47825  -0.42922  -0.41876  -0.37356
 Alpha virt. eigenvalues --   -0.02226  -0.00453   0.00027   0.00780   0.02586
 Alpha virt. eigenvalues --    0.02749   0.03162   0.05396   0.05784   0.08611
 Alpha virt. eigenvalues --    0.08656   0.08759   0.09754   0.09934   0.11119
 Alpha virt. eigenvalues --    0.12049   0.12298   0.12681   0.13855   0.15518
 Alpha virt. eigenvalues --    0.16203   0.17313   0.17581   0.19347   0.22056
 Alpha virt. eigenvalues --    0.23255   0.23532   0.24282   0.24795   0.25949
 Alpha virt. eigenvalues --    0.26341   0.27335   0.27593   0.29366   0.29936
 Alpha virt. eigenvalues --    0.32001   0.32910   0.34647   0.35878   0.36229
 Alpha virt. eigenvalues --    0.37412   0.37814   0.38901   0.39380   0.40161
 Alpha virt. eigenvalues --    0.40730   0.42144   0.43688   0.45091   0.45701
 Alpha virt. eigenvalues --    0.47196   0.47632   0.49059   0.49451   0.50545
 Alpha virt. eigenvalues --    0.51551   0.52700   0.54080   0.54622   0.56074
 Alpha virt. eigenvalues --    0.57688   0.58314   0.60765   0.61525   0.61833
 Alpha virt. eigenvalues --    0.62376   0.62933   0.64922   0.65895   0.67075
 Alpha virt. eigenvalues --    0.69131   0.70488   0.71567   0.73534   0.74718
 Alpha virt. eigenvalues --    0.75968   0.77478   0.78522   0.81128   0.83064
 Alpha virt. eigenvalues --    0.84849   0.85137   0.87235   0.90527   0.91129
 Alpha virt. eigenvalues --    0.93477   0.95396   0.98579   1.00209   1.01917
 Alpha virt. eigenvalues --    1.03048   1.04847   1.05989   1.09155   1.11552
 Alpha virt. eigenvalues --    1.13830   1.15260   1.16754   1.18212   1.20783
 Alpha virt. eigenvalues --    1.21159   1.25569   1.27345   1.30902   1.32163
 Alpha virt. eigenvalues --    1.34084   1.37066   1.39667   1.44604   1.47941
 Alpha virt. eigenvalues --    1.50199   1.52226   1.57064   1.59388   1.60773
 Alpha virt. eigenvalues --    1.62898   1.67846   1.68923   1.72335   1.72524
 Alpha virt. eigenvalues --    1.74929   1.77825   1.80398   1.84202   1.85604
 Alpha virt. eigenvalues --    1.88607   1.89677   1.92577   1.93487   1.97457
 Alpha virt. eigenvalues --    2.00316   2.01626   2.03509   2.07197   2.09029
 Alpha virt. eigenvalues --    2.10114   2.13779   2.17170   2.17236   2.20411
 Alpha virt. eigenvalues --    2.21849   2.24370   2.27054   2.29223   2.33762
 Alpha virt. eigenvalues --    2.35553   2.38521   2.40568   2.48446   2.50866
 Alpha virt. eigenvalues --    2.51800   2.57694   2.59306   2.59808   2.66944
 Alpha virt. eigenvalues --    2.68278   2.70944   2.79214   2.82593   2.83717
 Alpha virt. eigenvalues --    2.89702   2.92434   3.04084   3.07361   3.14743
 Alpha virt. eigenvalues --    3.30519   3.37218   3.43780   3.45935   3.48686
 Alpha virt. eigenvalues --    3.51452   3.52552   3.54966   3.63847   3.76208
 Alpha virt. eigenvalues --    3.84523   4.00459
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.481693   0.542463  -0.301339   0.005449  -0.119438  -0.005535
     2  C    0.542463   6.033109  -0.942293  -0.050204   0.424547   0.130116
     3  C   -0.301339  -0.942293   6.693714   0.661180  -0.061537   0.068339
     4  O    0.005449  -0.050204   0.661180   7.684786  -0.006711  -0.064859
     5  N   -0.119438   0.424547  -0.061537  -0.006711   6.193074  -0.036118
     6  O   -0.005535   0.130116   0.068339  -0.064859  -0.036118   7.869385
     7  H   -0.056123   0.004859  -0.111292   0.002973  -0.038272   0.010332
     8  H    0.230641   0.250871  -0.067050   0.011806  -0.024137   0.004444
     9  H    0.370127  -0.149708   0.001572   0.008566  -0.059568  -0.003382
    10  H    0.210336   0.057680  -0.048203  -0.027344   0.007463   0.002023
    11  H   -0.109460  -0.108829   0.067433   0.000755   0.397633  -0.005745
    12  H    0.013279   0.083059  -0.051184   0.001579   0.250102   0.007909
    13  H    0.002048  -0.134150  -0.027941   0.010817   0.079975   0.259822
               7          8          9         10         11         12
     1  C   -0.056123   0.230641   0.370127   0.210336  -0.109460   0.013279
     2  C    0.004859   0.250871  -0.149708   0.057680  -0.108829   0.083059
     3  C   -0.111292  -0.067050   0.001572  -0.048203   0.067433  -0.051184
     4  O    0.002973   0.011806   0.008566  -0.027344   0.000755   0.001579
     5  N   -0.038272  -0.024137  -0.059568   0.007463   0.397633   0.250102
     6  O    0.010332   0.004444  -0.003382   0.002023  -0.005745   0.007909
     7  H    1.409810  -0.106593   0.085547  -0.028650   0.035106  -0.095254
     8  H   -0.106593   1.411758  -0.303491  -0.285420  -0.021689   0.009428
     9  H    0.085547  -0.303491   1.359796  -0.196444   0.002591  -0.004042
    10  H   -0.028650  -0.285420  -0.196444   1.446940   0.001675  -0.002008
    11  H    0.035106  -0.021689   0.002591   0.001675   0.862959  -0.149482
    12  H   -0.095254   0.009428  -0.004042  -0.002008  -0.149482   0.886872
    13  H   -0.001895  -0.001931   0.000663   0.000818  -0.005280  -0.000600
              13
     1  C    0.002048
     2  C   -0.134150
     3  C   -0.027941
     4  O    0.010817
     5  N    0.079975
     6  O    0.259822
     7  H   -0.001895
     8  H   -0.001931
     9  H    0.000663
    10  H    0.000818
    11  H   -0.005280
    12  H   -0.000600
    13  H    0.660455
 Mulliken charges:
               1
     1  C    0.735858
     2  C   -0.141520
     3  C    0.118601
     4  O   -0.238792
     5  N   -0.007014
     6  O   -0.236732
     7  H   -0.110548
     8  H   -0.108637
     9  H   -0.112226
    10  H   -0.138866
    11  H    0.032333
    12  H    0.050342
    13  H    0.157200
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.376128
     2  C   -0.252067
     3  C    0.118601
     4  O   -0.238792
     5  N    0.075662
     6  O   -0.079531
 Electronic spatial extent (au):  <R**2>=            579.7894
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1945    Y=              2.0216    Z=              0.3552  Tot=              5.5853
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -39.9076   YY=            -38.0550   ZZ=            -33.9932
   XY=              0.5207   XZ=              0.1776   YZ=              0.2529
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.5890   YY=             -0.7364   ZZ=              3.3254
   XY=              0.5207   XZ=              0.1776   YZ=              0.2529
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.3795  YYY=              8.6047  ZZZ=              0.0931  XYY=             -7.0389
  XXY=              8.5167  XXZ=              1.7897  XZZ=             -1.6448  YZZ=              2.8207
  YYZ=             -0.2495  XYZ=              0.2631
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -394.6219 YYYY=           -278.0740 ZZZZ=            -58.6483 XXXY=            -13.3391
 XXXZ=             -2.8808 YYYX=              1.0614 YYYZ=             -1.4130 ZZZX=              0.3880
 ZZZY=             -0.9199 XXYY=           -111.5454 XXZZ=            -70.7483 YYZZ=            -55.6133
 XXYZ=              1.8714 YYXZ=             -2.4003 ZZXY=             -5.6646
 N-N= 2.501931013526D+02 E-N=-1.257307700242D+03  KE= 3.213762235778D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:23:37 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.96943793D+00 8.18549406D-01 1.30345559D-01
 Polarizability= 5.46563633D+01-1.15538800D+00 5.65123544D+01
                -5.26764103D-01-6.03702994D-01 4.12617202D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2013    0.2023       -0.5401   -0.5422
 2     -0.2013   -0.2023        0.2737    0.2731        0.9052    0.8998
 3      0.5401    0.5422        7.2637    7.2729       -0.2742   -0.2731
 4     -0.2737   -0.2731        0.0000    0.0000        0.5403    0.5422
 5     -8.1689   -8.1726       -0.5403   -0.5422        0.2022    0.2023
 6      0.2742    0.2731       -0.2022   -0.2023        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6070   -0.6070       -1.6266   -1.6266
 2     -0.8193   -0.8193       -0.0000    0.0000       -1.6266   -1.6266
 3     -0.8193   -0.8193       -0.6070   -0.6070        0.0000    0.0000
 4     -0.6070   -0.6070        0.8193    0.8193        2.6993    2.6993
 5      1.6266    1.6266       21.8186   21.8186       -0.8193   -0.8193
 6    -24.5179  -24.5179       -1.6266   -1.6266        0.6070    0.6070
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0626    0.0000       -0.9266   -0.8093        2.4868    2.1689
 2      1.0109    0.8093       -1.2659   -1.0924       -3.4778   -3.5990
 3     -2.1015   -2.1689      -29.2382  -29.0915        1.1120    1.0924
 4      1.1606    1.0924       -0.2025    0.0000       -2.1841   -2.1689
 5     32.8103   32.6906        2.1453    2.1689       -0.7342   -0.8093
 6     -0.9515   -1.0924        0.7165    0.8093       -0.0153    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0224    0.0000        8.2789    8.2823        0.9648    0.9691
 2     -8.3121   -8.2823       -7.9430   -8.0071        4.5235    4.6780
 3     -0.9110   -0.9691        1.4734    1.3749        7.4961    8.0071
 4      7.8536    8.0071       -0.1090    0.0000       -1.0639   -0.9691
 5     -6.4005   -6.0529        0.9545    0.9691        9.0172    8.2823
 6     -7.8656   -8.0071       -8.2729   -8.2823        0.0162    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.0511   10.1132        5.3622    5.3556        1.0913    1.1065
 2     20.3049   20.5985        8.3670    8.4091        1.0816    1.1065
 3     20.3060   20.5985        5.3751    5.3556       -2.0231   -2.0815
 4     -3.1521   -3.0535      -10.3423  -10.4853        0.1195    0.2185
 5     -3.1082   -3.1880        7.6959    7.5239       10.4337   10.4853
 6     -7.9605   -7.7423        3.2508    3.1880        4.1920    3.0535
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9766   -0.0008    0.0003    0.0007    2.6910    4.5146
 Low frequencies ---   57.7836  231.1366  274.9887
 Diagonal vibrational polarizability:
       20.2455547      13.5041867       8.5723095
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7832               231.1366               274.9887
 Red. masses --      3.6767                 1.1212                 1.4513
 Frc consts  --      0.0072                 0.0353                 0.0647
 IR Inten    --      1.0398                 0.4118                18.0214
 RamAct Fr= 1--      0.4173                 0.1951                 0.3415
  Dep-P Fr= 1--      0.7395                 0.7211                 0.7499
  Dep-U Fr= 1--      0.8503                 0.8380                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0591                 0.0272                 0.0488
 AlphaG Fr= 1--     -0.0006                -0.0014                -0.0001
 Gamma2 Fr= 1--      0.2670                 0.1178                 0.0713
 Delta2 Fr= 1--      0.1813                 0.0466                -0.0442
 Raman1 Fr= 1--       1.669                  0.780                  1.366
 ROA1   Fr= 1--      31.435                 12.804                  5.427
 CID1   Fr= 1--      18.831                 16.410                  3.973
 Raman2 Fr= 1--       0.710                  0.327                  0.585
 ROA2   Fr= 1--       4.957                  2.455                  2.064
 CID2   Fr= 1--       6.985                  7.510                  3.526
 Raman3 Fr= 1--       1.419                  0.654                  1.171
 ROA3   Fr= 1--      31.435                 12.804                  5.427
 CID3   Fr= 1--      22.147                 19.583                  4.635
 RC180  Fr= 1--       0.701                  0.676                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.20     0.05  -0.00  -0.01     0.10  -0.02  -0.02
     2   6     0.00   0.03  -0.02    -0.00   0.00   0.04    -0.01   0.03   0.03
     3   6    -0.01   0.01  -0.03    -0.01   0.01   0.02    -0.03   0.02   0.02
     4   8    -0.05  -0.01  -0.23    -0.02  -0.00  -0.02    -0.09  -0.01   0.01
     5   7     0.00  -0.01  -0.17     0.00   0.00   0.04    -0.02   0.03   0.06
     6   8     0.06   0.04   0.24    -0.01  -0.00  -0.04     0.03  -0.02  -0.07
     7   1     0.04   0.21   0.00    -0.03  -0.01   0.03    -0.03   0.03   0.03
     8   1    -0.01   0.01   0.21    -0.09   0.29  -0.47     0.13  -0.26   0.10
     9   1    -0.04  -0.26   0.19     0.55  -0.29  -0.02    -0.03   0.13  -0.01
    10   1    -0.03  -0.02   0.35    -0.27  -0.02   0.42     0.31   0.03  -0.19
    11   1     0.30  -0.06  -0.30     0.13   0.03  -0.02     0.50   0.13  -0.18
    12   1    -0.25  -0.09  -0.39    -0.11  -0.07  -0.04    -0.48  -0.27  -0.27
    13   1     0.08   0.06   0.26     0.01   0.01   0.04     0.13   0.06   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    279.6225               354.5659               410.0805
 Red. masses --      1.9824                 3.4332                 2.6035
 Frc consts  --      0.0913                 0.2543                 0.2580
 IR Inten    --     11.5845                11.4006                 4.4021
 RamAct Fr= 1--      0.4238                 1.0853                 0.4617
  Dep-P Fr= 1--      0.5020                 0.1687                 0.5608
  Dep-U Fr= 1--      0.6685                 0.2887                 0.7186
 Alpha2 Fr= 1--      0.0021                 0.0160                 0.0017
 Beta2  Fr= 1--      0.0472                 0.0522                 0.0553
 AlphaG Fr= 1--      0.0062                 0.0124                 0.0015
 Gamma2 Fr= 1--     -0.0115                -0.2877                 0.1469
 Delta2 Fr= 1--     -0.0344                -0.1432                -0.0266
 Raman1 Fr= 1--       1.695                  4.341                  1.847
 ROA1   Fr= 1--      -2.203                -32.205                 13.256
 CID1   Fr= 1--      -1.300                 -7.418                  7.178
 Raman2 Fr= 1--       0.567                  0.627                  0.664
 ROA2   Fr= 1--      -0.001                 -5.760                  3.739
 CID2   Fr= 1--      -0.002                 -9.191                  5.635
 Raman3 Fr= 1--       1.133                  1.253                  1.327
 ROA3   Fr= 1--      -2.203                -32.205                 13.256
 CID3   Fr= 1--      -1.944                -25.692                  9.989
 RC180  Fr= 1--       0.337                 -0.423                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.04  -0.00    -0.10  -0.01   0.01     0.01   0.19  -0.02
     2   6    -0.01   0.07   0.02     0.02   0.01  -0.14     0.04   0.01   0.19
     3   6    -0.03   0.03   0.01     0.04   0.04  -0.10     0.04  -0.01   0.10
     4   8    -0.14  -0.04  -0.04     0.01   0.03   0.08     0.03  -0.01  -0.07
     5   7    -0.08   0.03  -0.03    -0.23  -0.03   0.09    -0.13  -0.14  -0.09
     6   8     0.07  -0.03   0.03     0.26  -0.01   0.00     0.04  -0.03  -0.02
     7   1    -0.02   0.07   0.02     0.17  -0.06  -0.14    -0.03   0.06   0.19
     8   1     0.15  -0.22  -0.06    -0.09   0.22   0.05    -0.02   0.26  -0.09
     9   1     0.24  -0.05  -0.00    -0.15  -0.19   0.00     0.08   0.52   0.00
    10   1     0.34   0.05   0.03    -0.26  -0.04   0.16    -0.16   0.03  -0.29
    11   1    -0.57  -0.11   0.19    -0.20   0.06   0.07    -0.14  -0.49  -0.08
    12   1     0.33   0.27   0.27    -0.37  -0.38   0.13    -0.20  -0.10  -0.19
    13   1     0.10   0.00  -0.15     0.43   0.14  -0.02     0.06  -0.01  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    530.6052               568.8183               739.1148
 Red. masses --      5.7938                 3.8666                 5.1151
 Frc consts  --      0.9611                 0.7371                 1.6464
 IR Inten    --      1.3248                 4.3907                 8.5197
 RamAct Fr= 1--      3.5232                 3.2229                 3.4886
  Dep-P Fr= 1--      0.3649                 0.3360                 0.0628
  Dep-U Fr= 1--      0.5347                 0.5030                 0.1182
 Alpha2 Fr= 1--      0.0295                 0.0296                 0.0668
 Beta2  Fr= 1--      0.3140                 0.2702                 0.0687
 AlphaG Fr= 1--     -0.0260                 0.0135                 0.0460
 Gamma2 Fr= 1--      0.1478                -0.2816                -0.4649
 Delta2 Fr= 1--      0.0806                -0.0043                 0.0080
 Raman1 Fr= 1--      14.093                 12.892                 13.954
 ROA1   Fr= 1--      16.765                -27.171                -44.376
 CID1   Fr= 1--       1.190                 -2.108                 -3.180
 Raman2 Fr= 1--       3.768                  3.242                  0.825
 ROA2   Fr= 1--       2.902                 -6.724                -11.221
 CID2   Fr= 1--       0.770                 -2.074                -13.603
 Raman3 Fr= 1--       7.535                  6.485                  1.650
 ROA3   Fr= 1--      16.765                -27.171                -44.376
 CID3   Fr= 1--       2.225                 -4.190                -26.897
 RC180  Fr= 1--       0.069                  0.006                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.02    -0.14  -0.17  -0.05    -0.05  -0.07  -0.05
     2   6    -0.18   0.14  -0.00    -0.19  -0.06   0.13     0.06   0.01  -0.08
     3   6     0.02  -0.17   0.06    -0.05   0.10   0.17     0.28   0.03   0.36
     4   8     0.34  -0.02  -0.08     0.03   0.16  -0.09    -0.05  -0.21  -0.08
     5   7    -0.20   0.24   0.00     0.09  -0.02  -0.01    -0.08   0.08  -0.01
     6   8    -0.05  -0.21   0.02     0.19  -0.04  -0.08    -0.01   0.18  -0.11
     7   1    -0.28   0.23  -0.01    -0.42  -0.10   0.12    -0.40  -0.06  -0.11
     8   1    -0.01  -0.29  -0.09    -0.17  -0.28  -0.12     0.04   0.12   0.24
     9   1     0.14  -0.10   0.01    -0.07  -0.10  -0.05    -0.34  -0.30  -0.06
    10   1     0.31   0.18   0.14    -0.07  -0.15  -0.09    -0.14  -0.08   0.08
    11   1    -0.12   0.34  -0.04     0.10   0.00  -0.01    -0.11   0.21   0.00
    12   1    -0.27   0.13  -0.00     0.25   0.37  -0.05    -0.07  -0.08   0.09
    13   1     0.03  -0.13   0.09     0.39   0.15  -0.11    -0.27  -0.07   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    804.7202               846.5321               880.2916
 Red. masses --      3.3143                 1.5049                 1.2290
 Frc consts  --      1.2645                 0.6354                 0.5611
 IR Inten    --      6.5787               111.7083                72.3814
 RamAct Fr= 1--      9.4539                 1.0825                 1.9435
  Dep-P Fr= 1--      0.0642                 0.4232                 0.4292
  Dep-U Fr= 1--      0.1206                 0.5948                 0.6007
 Alpha2 Fr= 1--      0.1805                 0.0074                 0.0129
 Beta2  Fr= 1--      0.1900                 0.1073                 0.1946
 AlphaG Fr= 1--     -0.0851                -0.0390                 0.0564
 Gamma2 Fr= 1--     -0.0838                -0.3919                 0.1353
 Delta2 Fr= 1--      0.1068                -0.1219                -0.0209
 Raman1 Fr= 1--      37.816                  4.330                  7.774
 ROA1   Fr= 1--      -4.621                -41.527                 12.324
 CID1   Fr= 1--      -0.122                 -9.590                  1.585
 Raman2 Fr= 1--       2.280                  1.288                  2.335
 ROA2   Fr= 1--      -2.865                 -8.431                  3.415
 CID2   Fr= 1--      -1.257                 -6.547                  1.463
 Raman3 Fr= 1--       4.560                  2.575                  4.669
 ROA3   Fr= 1--      -4.621                -41.527                 12.324
 CID3   Fr= 1--      -1.013                -16.125                  2.639
 RC180  Fr= 1--      -0.759                  0.190                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.08  -0.00     0.03   0.07   0.02    -0.02  -0.05  -0.00
     2   6     0.11  -0.01  -0.16    -0.06   0.03  -0.04     0.04  -0.02   0.04
     3   6    -0.13   0.05   0.21     0.01  -0.00  -0.01    -0.01  -0.00  -0.02
     4   8    -0.01   0.15  -0.06     0.01  -0.01   0.01    -0.00   0.01   0.02
     5   7     0.05  -0.05  -0.01    -0.05  -0.15   0.00     0.02   0.08  -0.05
     6   8    -0.07  -0.18  -0.01     0.00   0.01  -0.04    -0.01  -0.01  -0.04
     7   1    -0.14  -0.14  -0.18    -0.10   0.03  -0.04     0.06   0.04   0.04
     8   1     0.21   0.37   0.36     0.04   0.06   0.05    -0.03  -0.01  -0.06
     9   1    -0.26  -0.20  -0.02     0.01   0.01   0.02     0.02   0.07   0.00
    10   1    -0.03   0.08   0.18     0.08   0.11   0.08    -0.10  -0.12  -0.11
    11   1    -0.17  -0.02   0.09     0.26   0.39  -0.11    -0.30  -0.21   0.09
    12   1     0.02  -0.40   0.16     0.34   0.41   0.08    -0.03  -0.14   0.04
    13   1     0.21   0.08   0.06     0.06   0.04   0.62     0.18   0.14   0.84
                     13                     14                     15
                      A                      A                      A
 Frequencies --    939.2088              1020.8481              1081.8120
 Red. masses --      1.4698                 1.3096                 2.3447
 Frc consts  --      0.7639                 0.8041                 1.6168
 IR Inten    --     36.1213                 0.6787                44.5061
 RamAct Fr= 1--      2.3307                 1.2974                 2.8102
  Dep-P Fr= 1--      0.3636                 0.3316                 0.7481
  Dep-U Fr= 1--      0.5333                 0.4981                 0.8559
 Alpha2 Fr= 1--      0.0196                 0.0121                 0.0001
 Beta2  Fr= 1--      0.2072                 0.1077                 0.4009
 AlphaG Fr= 1--      0.0261                -0.0127                -0.0013
 Gamma2 Fr= 1--      0.6900                -0.4027                 0.5820
 Delta2 Fr= 1--      0.4753                -0.3810                 0.1945
 Raman1 Fr= 1--       9.323                  5.190                 11.241
 ROA1   Fr= 1--      81.448                -50.849                 62.097
 CID1   Fr= 1--       8.737                 -9.798                  5.524
 Raman2 Fr= 1--       2.486                  1.292                  4.811
 ROA2   Fr= 1--      12.758                 -6.616                 12.412
 CID2   Fr= 1--       5.132                 -5.119                  2.580
 Raman3 Fr= 1--       4.972                  2.585                  9.621
 ROA3   Fr= 1--      81.448                -50.849                 62.097
 CID3   Fr= 1--      16.382                -19.671                  6.454
 RC180  Fr= 1--       0.067                 -0.004                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.12   0.01    -0.06  -0.01   0.07    -0.13  -0.05  -0.10
     2   6     0.10  -0.01   0.02    -0.01   0.04  -0.08     0.15   0.20   0.02
     3   6    -0.01   0.02   0.01     0.00   0.00   0.07     0.06   0.06   0.03
     4   8    -0.01   0.03  -0.01    -0.00  -0.00  -0.01    -0.02   0.03  -0.01
     5   7    -0.08   0.04  -0.01     0.04  -0.06  -0.01    -0.03  -0.06   0.04
     6   8    -0.02  -0.05   0.02    -0.00   0.01  -0.01    -0.05  -0.09   0.01
     7   1     0.19   0.17   0.03     0.14   0.44  -0.04     0.50   0.12   0.04
     8   1     0.04   0.30  -0.02    -0.19  -0.26  -0.32    -0.14  -0.37  -0.11
     9   1    -0.04   0.26   0.03     0.31   0.32   0.09    -0.06  -0.36  -0.12
    10   1    -0.38  -0.39  -0.30     0.08  -0.02  -0.20     0.16   0.13   0.08
    11   1     0.18   0.41  -0.12    -0.09   0.26   0.05     0.16  -0.33  -0.03
    12   1     0.10   0.32   0.02     0.06  -0.42   0.21     0.03   0.30  -0.11
    13   1    -0.02  -0.04  -0.12     0.01   0.02  -0.06    -0.05  -0.08   0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1147.1333              1212.9292              1234.4147
 Red. masses --      2.3237                 2.3184                 1.8866
 Frc consts  --      1.8016                 2.0096                 1.6938
 IR Inten    --     10.8472                19.4995                 9.6585
 RamAct Fr= 1--      1.7773                 3.7632                 3.6242
  Dep-P Fr= 1--      0.5753                 0.4667                 0.4438
  Dep-U Fr= 1--      0.7304                 0.6364                 0.6147
 Alpha2 Fr= 1--      0.0058                 0.0215                 0.0228
 Beta2  Fr= 1--      0.2164                 0.3992                 0.3713
 AlphaG Fr= 1--     -0.0081                 0.0117                -0.0101
 Gamma2 Fr= 1--      0.2510                -1.4051                 1.3473
 Delta2 Fr= 1--     -0.2707                -0.1606                -0.2094
 Raman1 Fr= 1--       7.109                 15.053                 14.497
 ROA1   Fr= 1--      15.429               -140.025                122.640
 CID1   Fr= 1--       2.170                 -9.302                  8.460
 Raman2 Fr= 1--       2.596                  4.790                  4.456
 ROA2   Fr= 1--       8.188                -32.436                 34.011
 CID2   Fr= 1--       3.154                 -6.772                  7.633
 Raman3 Fr= 1--       5.193                  9.580                  8.912
 ROA3   Fr= 1--      15.429               -140.025                122.640
 CID3   Fr= 1--       2.971                -14.616                 13.761
 RC180  Fr= 1--       0.461                  0.273                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.09  -0.08     0.01   0.00  -0.02    -0.06   0.04  -0.09
     2   6    -0.06   0.24   0.05    -0.04  -0.01   0.07     0.14  -0.07   0.15
     3   6    -0.07  -0.07  -0.05     0.20   0.15  -0.12    -0.08  -0.05  -0.02
     4   8     0.04  -0.04   0.01    -0.06   0.06   0.01     0.01  -0.00   0.01
     5   7     0.07  -0.09   0.03     0.02  -0.02  -0.02    -0.04   0.00  -0.08
     6   8    -0.00   0.06   0.01    -0.01  -0.13   0.03     0.01   0.04   0.00
     7   1    -0.34   0.45   0.05    -0.51   0.22   0.05    -0.06   0.21   0.16
     8   1     0.14   0.31   0.16     0.02   0.01   0.05     0.02  -0.20   0.14
     9   1    -0.35  -0.11  -0.08    -0.08  -0.04  -0.02    -0.05  -0.33  -0.10
    10   1    -0.29  -0.23  -0.02    -0.06  -0.01   0.04     0.15   0.21   0.20
    11   1    -0.05  -0.10   0.09    -0.11   0.23   0.03    -0.01   0.61  -0.08
    12   1     0.04  -0.28   0.10    -0.02  -0.34   0.12     0.12  -0.28   0.23
    13   1     0.09   0.12  -0.07    -0.40  -0.45   0.12     0.12   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1315.1035              1391.3533              1410.0174
 Red. masses --      1.3934                 1.2704                 1.3168
 Frc consts  --      1.4199                 1.4490                 1.5425
 IR Inten    --     10.3296                 6.8389                91.6185
 RamAct Fr= 1--      3.6260                 4.7294                 2.4143
  Dep-P Fr= 1--      0.7081                 0.7163                 0.3270
  Dep-U Fr= 1--      0.8291                 0.8347                 0.4929
 Alpha2 Fr= 1--      0.0026                 0.0028                 0.0228
 Beta2  Fr= 1--      0.5010                 0.6579                 0.1983
 AlphaG Fr= 1--      0.0026                -0.0083                -0.0123
 Gamma2 Fr= 1--     -0.2049                 1.3142                 0.6977
 Delta2 Fr= 1--     -0.0271                -0.7265                -0.0020
 Raman1 Fr= 1--      14.504                 18.918                  9.657
 ROA1   Fr= 1--     -20.536                102.917                 66.918
 CID1   Fr= 1--      -1.416                  5.440                  6.929
 Raman2 Fr= 1--       6.012                  7.895                  2.380
 ROA2   Fr= 1--      -4.700                 37.353                 16.761
 CID2   Fr= 1--      -0.782                  4.731                  7.043
 Raman3 Fr= 1--      12.025                 15.790                  4.760
 ROA3   Fr= 1--     -20.536                102.917                 66.918
 CID3   Fr= 1--      -1.708                  6.518                 14.059
 RC180  Fr= 1--       0.658                  0.669                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.07    -0.03   0.01  -0.01    -0.06  -0.10  -0.04
     2   6    -0.14  -0.08   0.01     0.06  -0.10  -0.05     0.02   0.03   0.01
     3   6     0.01   0.01   0.04    -0.02  -0.01  -0.01    -0.06  -0.04   0.01
     4   8    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00   0.03  -0.00
     5   7     0.02   0.01  -0.00    -0.01   0.01   0.07    -0.00   0.00  -0.01
     6   8     0.02   0.00  -0.01     0.00   0.01  -0.00     0.06   0.02  -0.01
     7   1     0.76   0.46   0.11    -0.38   0.75  -0.03     0.02  -0.12  -0.00
     8   1     0.12   0.10   0.16     0.03   0.08   0.10     0.03   0.44   0.18
     9   1    -0.16  -0.10  -0.07     0.13  -0.03  -0.01     0.21   0.38   0.01
    10   1    -0.08   0.03   0.16     0.13   0.08  -0.02     0.41   0.21   0.22
    11   1    -0.07   0.02   0.03     0.04  -0.31   0.04     0.00   0.00  -0.01
    12   1    -0.04  -0.03  -0.02    -0.06   0.29  -0.13    -0.00  -0.06   0.03
    13   1    -0.13  -0.14   0.06     0.03   0.03   0.00    -0.36  -0.37   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.6718              1491.3144              1500.7296
 Red. masses --      1.4639                 1.0487                 1.0544
 Frc consts  --      1.7261                 1.3741                 1.3992
 IR Inten    --    305.6757                 3.5444                10.8186
 RamAct Fr= 1--      1.8557                 4.7718                 3.9774
  Dep-P Fr= 1--      0.1209                 0.7491                 0.7387
  Dep-U Fr= 1--      0.2157                 0.8565                 0.8497
 Alpha2 Fr= 1--      0.0309                 0.0001                 0.0008
 Beta2  Fr= 1--      0.0667                 0.6812                 0.5633
 AlphaG Fr= 1--     -0.0187                -0.0008                 0.0007
 Gamma2 Fr= 1--     -0.0448                -0.8376                -0.0505
 Delta2 Fr= 1--      0.0210                 0.4251                -0.4408
 Raman1 Fr= 1--       7.423                 19.087                 15.910
 ROA1   Fr= 1--      -3.628                -66.809                -18.957
 CID1   Fr= 1--      -0.489                 -3.500                 -1.192
 Raman2 Fr= 1--       0.801                  8.174                  6.759
 ROA2   Fr= 1--      -1.243                -23.504                  2.314
 CID2   Fr= 1--      -1.552                 -2.875                  0.342
 Raman3 Fr= 1--       1.601                 16.349                 13.518
 ROA3   Fr= 1--      -3.628                -66.809                -18.957
 CID3   Fr= 1--      -2.266                 -4.086                 -1.402
 RC180  Fr= 1--      -0.569                  0.713                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.04    -0.03   0.02  -0.04     0.04  -0.01  -0.03
     2   6    -0.04  -0.01   0.02    -0.01   0.02  -0.01     0.03  -0.01  -0.02
     3   6     0.09   0.08  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   8     0.01  -0.05   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     5   7     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.01
     6   8    -0.09  -0.03   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.08  -0.00   0.03     0.00  -0.07  -0.02    -0.09   0.04  -0.02
     8   1     0.04   0.33   0.14     0.18  -0.28   0.62    -0.02  -0.39  -0.11
     9   1     0.10   0.31  -0.00     0.59   0.06  -0.01    -0.27   0.52   0.01
    10   1     0.27   0.17   0.24    -0.35  -0.13   0.01    -0.29   0.04   0.62
    11   1    -0.04   0.08   0.01    -0.01   0.01   0.01     0.01  -0.04   0.00
    12   1    -0.00  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.05  -0.02
    13   1     0.50   0.53  -0.17     0.00   0.00  -0.00    -0.01  -0.01   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.4813              1838.8535              3034.2897
 Red. masses --      1.0914                 9.6535                 1.0479
 Frc consts  --      1.7708                19.2322                 5.6843
 IR Inten    --     35.0591               312.5112                 8.0170
 RamAct Fr= 1--      3.3093                11.8728               229.0245
  Dep-P Fr= 1--      0.6073                 0.3219                 0.0408
  Dep-U Fr= 1--      0.7557                 0.4871                 0.0784
 Alpha2 Fr= 1--      0.0087                 0.1139                 4.6237
 Beta2  Fr= 1--      0.4168                 0.9638                 2.9937
 AlphaG Fr= 1--     -0.0009                 0.0956                -0.0431
 Gamma2 Fr= 1--      0.0760                 0.6107                -0.2176
 Delta2 Fr= 1--     -0.0783                 0.1218                 0.0618
 Raman1 Fr= 1--      13.237                 47.491                916.098
 ROA1   Fr= 1--       4.786                 62.525                -18.908
 CID1   Fr= 1--       0.362                  1.317                 -0.021
 Raman2 Fr= 1--       5.001                 11.566                 35.925
 ROA2   Fr= 1--       2.449                 13.683                 -5.716
 CID2   Fr= 1--       0.490                  1.183                 -0.159
 Raman3 Fr= 1--      10.003                 23.131                 71.850
 ROA3   Fr= 1--       4.786                 62.525                -18.908
 CID3   Fr= 1--       0.478                  2.703                 -0.263
 RC180  Fr= 1--       0.511                 -0.026                 -0.843
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.02  -0.04
     2   6    -0.03  -0.01  -0.00     0.03  -0.03  -0.00    -0.00  -0.00   0.03
     3   6     0.01   0.01  -0.00    -0.37   0.61  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00     0.23  -0.38   0.00    -0.00   0.00   0.00
     5   7    -0.05   0.05  -0.02     0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00  -0.00   0.00     0.06  -0.04  -0.01    -0.00  -0.00   0.00
     7   1     0.01   0.03   0.00    -0.03   0.03  -0.00     0.03   0.03  -0.41
     8   1     0.01   0.01   0.03    -0.02  -0.10  -0.04     0.43  -0.01  -0.15
     9   1     0.01   0.02  -0.00    -0.03  -0.00   0.01    -0.02  -0.05   0.72
    10   1    -0.01  -0.00   0.01    -0.07  -0.00   0.01    -0.13   0.27  -0.09
    11   1     0.51  -0.43  -0.24    -0.00   0.01   0.00     0.00  -0.00   0.01
    12   1     0.37  -0.24   0.54    -0.01  -0.03  -0.01    -0.00  -0.00   0.00
    13   1     0.02   0.02  -0.02    -0.38  -0.32   0.12     0.00   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3042.8332              3097.9958              3134.0153
 Red. masses --      1.0737                 1.1007                 1.0997
 Frc consts  --      5.8570                 6.2242                 6.3637
 IR Inten    --     18.0732                26.5169                 6.5114
 RamAct Fr= 1--     35.4777                65.7238                58.7989
  Dep-P Fr= 1--      0.7099                 0.4994                 0.6129
  Dep-U Fr= 1--      0.8303                 0.6661                 0.7600
 Alpha2 Fr= 1--      0.0247                 0.3255                 0.1481
 Beta2  Fr= 1--      4.9098                 7.2965                 7.4477
 AlphaG Fr= 1--     -0.0062                 0.1108                -0.2029
 Gamma2 Fr= 1--     -0.2856                 4.4383                -4.8431
 Delta2 Fr= 1--     -0.5056                 2.9652                -1.2893
 Raman1 Fr= 1--     141.911                262.895                235.195
 ROA1   Fr= 1--     -43.596                520.969               -506.192
 CID1   Fr= 1--      -0.307                  1.982                 -2.152
 Raman2 Fr= 1--      58.917                 87.558                 89.372
 ROA2   Fr= 1--      -2.809                 82.798               -105.919
 CID2   Fr= 1--      -0.048                  0.946                 -1.185
 Raman3 Fr= 1--     117.834                175.116                178.745
 ROA3   Fr= 1--     -43.596                520.969               -506.192
 CID3   Fr= 1--      -0.370                  2.975                 -2.832
 RC180  Fr= 1--       0.661                  0.332                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00    -0.05  -0.01   0.07     0.06  -0.07   0.02
     2   6     0.00   0.01  -0.07    -0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1    -0.06  -0.06   0.88     0.01   0.01  -0.17    -0.00   0.00  -0.03
     8   1     0.32  -0.01  -0.11     0.71  -0.02  -0.22    -0.33   0.00   0.12
     9   1    -0.01  -0.01   0.22    -0.00   0.04  -0.62     0.01   0.00  -0.18
    10   1    -0.09   0.18  -0.06    -0.08   0.14  -0.03    -0.37   0.80  -0.24
    11   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3444.9924              3500.6117              3585.0116
 Red. masses --      1.0641                 1.0513                 1.0923
 Frc consts  --      7.4406                 7.5906                 8.2713
 IR Inten    --    266.6345                 0.5317                 9.9231
 RamAct Fr= 1--     66.5436                91.9289                56.7504
  Dep-P Fr= 1--      0.0905                 0.0840                 0.5528
  Dep-U Fr= 1--      0.1659                 0.1550                 0.7120
 Alpha2 Fr= 1--      1.1925                 1.6734                 0.2136
 Beta2  Fr= 1--      1.8404                 2.3749                 6.7341
 AlphaG Fr= 1--      0.1633                -0.1615                 0.1093
 Gamma2 Fr= 1--      0.0878                -1.4076                 0.8370
 Delta2 Fr= 1--      0.9132                 0.2279                -1.3480
 Raman1 Fr= 1--     266.174                367.716                227.002
 ROA1   Fr= 1--      37.653               -127.837                 37.219
 CID1   Fr= 1--       0.141                 -0.348                  0.164
 Raman2 Fr= 1--      22.084                 28.499                 80.809
 ROA2   Fr= 1--      -5.198                -35.605                 30.873
 CID2   Fr= 1--      -0.235                 -1.249                  0.382
 Raman3 Fr= 1--      44.169                 56.998                161.618
 ROA3   Fr= 1--      37.653               -127.837                 37.219
 CID3   Fr= 1--       0.852                 -2.243                  0.230
 RC180  Fr= 1--      -0.668                 -0.690                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.01  -0.00   0.00    -0.05   0.01  -0.03    -0.03   0.02   0.07
     6   8     0.04  -0.04  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     7   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00  -0.02
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.04  -0.00  -0.08     0.32   0.00   0.78    -0.22  -0.00  -0.46
    12   1    -0.05   0.02   0.05     0.33  -0.19  -0.36     0.58  -0.30  -0.55
    13   1    -0.67   0.73   0.02    -0.08   0.09   0.00    -0.01   0.02   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   369.46428 525.57134 834.82501
           X            0.99801   0.06280   0.00550
           Y           -0.06285   0.99799   0.00854
           Z           -0.00495  -0.00887   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23443     0.16480     0.10375
 Rotational constants (GHZ):           4.88475     3.43387     2.16182
 Zero-point vibrational energy     283968.8 (Joules/Mol)
                                   67.87018 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.14   332.55   395.65   402.31   510.14
          (Kelvin)            590.01   763.42   818.40  1063.42  1157.81
                             1217.97  1266.54  1351.31  1468.77  1556.49
                             1650.47  1745.13  1776.05  1892.14  2001.85
                             2028.70  2035.40  2145.67  2159.22  2387.62
                             2645.70  4365.67  4377.96  4457.32  4509.15
                             4956.58  5036.60  5158.03
 
 Zero-point correction=                           0.108158 (Hartree/Particle)
 Thermal correction to Energy=                    0.114761
 Thermal correction to Enthalpy=                  0.115706
 Thermal correction to Gibbs Free Energy=         0.077731
 Sum of electronic and zero-point Energies=           -323.796587
 Sum of electronic and thermal Energies=              -323.789984
 Sum of electronic and thermal Enthalpies=            -323.789040
 Sum of electronic and thermal Free Energies=         -323.827015
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.014             23.351             79.925
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.586
 Vibrational             70.236             17.389             13.967
 Vibration     1          0.596              1.974              4.531
 Vibration     2          0.653              1.793              1.870
 Vibration     3          0.677              1.720              1.565
 Vibration     4          0.680              1.711              1.536
 Vibration     5          0.730              1.566              1.146
 Vibration     6          0.774              1.448              0.926
 Vibration     7          0.886              1.182              0.586
 Vibration     8          0.925              1.099              0.507
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.176363D-35        -35.753591        -82.325687
 Total V=0       0.989913D+14         13.995597         32.226053
 Vib (Bot)       0.370489D-48        -48.431225       -111.517016
 Vib (Bot)    1  0.357465D+01          0.553234          1.273868
 Vib (Bot)    2  0.851704D+00         -0.069711         -0.160516
 Vib (Bot)    3  0.700997D+00         -0.154284         -0.355252
 Vib (Bot)    4  0.687712D+00         -0.162593         -0.374385
 Vib (Bot)    5  0.518804D+00         -0.284997         -0.656229
 Vib (Bot)    6  0.431406D+00         -0.365114         -0.840705
 Vib (Bot)    7  0.301238D+00         -0.521090         -1.199854
 Vib (Bot)    8  0.270886D+00         -0.567214         -1.306058
 Vib (V=0)       0.207952D+02          1.317964          3.034724
 Vib (V=0)    1  0.410945D+01          0.613784          1.413289
 Vib (V=0)    2  0.148762D+01          0.172493          0.397180
 Vib (V=0)    3  0.136104D+01          0.133872          0.308252
 Vib (V=0)    4  0.135026D+01          0.130419          0.300300
 Vib (V=0)    5  0.122053D+01          0.086547          0.199282
 Vib (V=0)    6  0.116039D+01          0.064603          0.148754
 Vib (V=0)    7  0.108373D+01          0.034922          0.080412
 Vib (V=0)    8  0.106866D+01          0.028841          0.066410
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.144127D+06          5.158745         11.878450
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 333                                         1      1    11111  1  11 1 1 1                                    
     5  5 4          1 000                                         8      6    54443  3  22 1 0 0  9 8 88 7     5 5   4 3 222        
     8  0 4          3 943                                         3      5    09119  1  31 4 8 2  3 8 40 3     6 3   1 5 873     5  
     5  1 5          4 834                                         9      9    11501  5  43 7 2 1  9 0 75 9     9 1   0 5 051     8  
 
     X  X X          X XXX                                         X      X    XXXXX  X  XX X X X  X X XX X     X X   X X XXX     X  
          X            X                                           X      X      XX           X    X X X                             
          X                                                        X             XX           X      X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                    X                             
          X                                                        X             X                     X                             
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011566   -0.000004009   -0.000001502
      2        6           0.000022749    0.000009789   -0.000008385
      3        6          -0.000039041   -0.000008523    0.000008490
      4        8           0.000006385   -0.000009368    0.000000079
      5        7           0.000007820   -0.000004674   -0.000002018
      6        8          -0.000016107    0.000022782   -0.000002887
      7        1          -0.000000958   -0.000006978    0.000004706
      8        1          -0.000002105    0.000002909   -0.000001779
      9        1          -0.000003224    0.000001910    0.000000430
     10        1          -0.000002183    0.000002641    0.000000762
     11        1          -0.000002890    0.000002049   -0.000000885
     12        1          -0.000001593   -0.000000872    0.000002398
     13        1           0.000019581   -0.000007656    0.000000592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039041 RMS     0.000010236
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.553672D+00
      2 -0.493741D-01  0.513378D+00
      3 -0.212447D-01 -0.364314D-01  0.547200D+00
      4 -0.110596D+00 -0.334432D-01 -0.251022D-01  0.445291D+00
      5 -0.439173D-01 -0.126987D+00 -0.377217D-01  0.451041D-02  0.475439D+00
      6 -0.302709D-01 -0.314890D-01 -0.991322D-01  0.191190D-02 -0.678461D-02
      7 -0.232467D-01 -0.138142D-01  0.172997D-02 -0.140724D+00  0.508923D-02
      8 -0.249321D-01  0.284929D-02  0.720795D-02 -0.170457D-01 -0.688647D-01
      9 -0.155749D-01  0.319883D-02  0.550874D-02  0.148585D-01 -0.728748D-02
     10  0.398955D-03  0.164560D-02  0.972246D-03 -0.153433D-01  0.347697D-01
     11 -0.189020D-02 -0.312163D-02 -0.550199D-03  0.172659D-01 -0.105282D-01
     12  0.153360D-02 -0.197282D-03 -0.409008D-04  0.479887D-02 -0.466705D-02
     13  0.748745D-02 -0.131318D-01  0.408234D-02 -0.808063D-01  0.631939D-01
     14  0.150010D-01 -0.399341D-01  0.104863D-01  0.181201D-01 -0.165096D+00
     15  0.523512D-02 -0.860519D-02  0.411428D-02  0.211138D-03  0.260658D-01
     16 -0.438377D-02  0.197991D-02  0.360328D-02 -0.207778D-01 -0.299114D-01
     17 -0.218483D-02  0.263325D-02  0.137880D-02 -0.761547D-02 -0.164771D-01
     18  0.362779D-02 -0.240479D-02 -0.234819D-02  0.105198D-01  0.141949D-01
     19  0.959342D-03 -0.541575D-03 -0.193726D-01 -0.481589D-01 -0.899504D-03
     20  0.213696D-03 -0.926855D-04 -0.270035D-01  0.156194D-02 -0.458275D-01
     21  0.216054D-04 -0.177243D-02 -0.137521D-01  0.153961D-01  0.177815D-01
     22 -0.283179D+00  0.733605D-02  0.783986D-01 -0.176018D-01  0.196382D-02
     23  0.950882D-02 -0.470759D-01 -0.186254D-02 -0.276972D-01 -0.183090D-02
     24  0.800150D-01 -0.245739D-02 -0.745804D-01 -0.153424D-01  0.505306D-03
     25 -0.479660D-01 -0.102126D-02  0.694868D-02 -0.137672D-02  0.116716D-02
     26 -0.208638D-03 -0.483634D-01  0.204163D-01 -0.711313D-03 -0.907026D-03
     27  0.568100D-02  0.193669D-01 -0.303384D+00 -0.168002D-02  0.827147D-03
     28 -0.929360D-01  0.995437D-01 -0.303565D-01  0.782462D-02 -0.132893D-01
     29  0.951293D-01 -0.253693D+00  0.616576D-01  0.104076D-01 -0.200531D-01
     30 -0.293935D-01  0.627864D-01 -0.661905D-01  0.732188D-02 -0.111651D-01
     31  0.680705D-03 -0.311889D-03  0.637447D-03 -0.543741D-02 -0.514797D-02
     32 -0.527853D-03  0.289108D-02  0.204432D-02  0.147486D-01 -0.356598D-02
     33  0.117296D-02 -0.242318D-02  0.318478D-02 -0.500205D-02  0.427823D-03
     34  0.902079D-03 -0.111008D-02 -0.853293D-04 -0.100970D-01 -0.406519D-02
     35  0.174815D-02 -0.112729D-02  0.345965D-03  0.241191D-01 -0.143234D-01
     36 -0.384064D-03  0.173777D-03 -0.741434D-03 -0.933341D-02  0.602318D-02
     37 -0.179324D-02  0.224275D-02 -0.211256D-03 -0.219684D-02 -0.134636D-01
     38  0.143409D-02 -0.135744D-02  0.321171D-04 -0.422068D-02 -0.977778D-03
     39 -0.419070D-03  0.254727D-03  0.161375D-03  0.144183D-02  0.180036D-02
                6             7             8             9            10 
      6  0.572598D+00
      7  0.107125D-01  0.625306D+00
      8  0.563863D-03 -0.216376D+00  0.917842D+00
      9 -0.954093D-01 -0.513494D-01 -0.420578D-01  0.244851D+00
     10  0.208307D-02 -0.288172D+00  0.282127D+00  0.496956D-02  0.280713D+00
     11 -0.111276D-02  0.294344D+00 -0.559872D+00  0.327117D-02 -0.323133D+00
     12  0.191768D-01  0.387038D-02  0.504813D-02 -0.778894D-01 -0.670722D-02
     13 -0.134613D-01 -0.177915D-01  0.193185D-01 -0.614385D-02 -0.674724D-02
     14  0.183846D-01  0.864381D-02 -0.189020D-01  0.357851D-02  0.543818D-02
     15 -0.105223D+00  0.236165D-02 -0.576719D-02  0.254382D-02  0.300632D-02
     16  0.103703D-01 -0.184150D+00 -0.530851D-01  0.309063D-01  0.387660D-01
     17  0.821708D-02 -0.106361D+00 -0.206235D+00  0.388343D-01  0.331692D-03
     18  0.186876D-01  0.371141D-01  0.283578D-01 -0.669406D-01 -0.420265D-02
     19  0.263215D-01 -0.244197D-02 -0.768497D-03  0.363761D-01 -0.149727D-02
     20  0.102470D-01 -0.139563D-02  0.334406D-03 -0.810196D-03  0.915874D-03
     21 -0.300021D+00  0.325344D-02  0.376795D-03 -0.101252D-01  0.397540D-03
     22  0.448794D-02  0.104775D-02 -0.158238D-02 -0.237060D-02 -0.274102D-03
     23  0.700641D-02  0.154823D-02 -0.544569D-02 -0.318740D-02 -0.116635D-03
     24  0.353665D-02 -0.482629D-03 -0.324202D-02 -0.813577D-03 -0.257683D-03
     25 -0.195679D-01  0.178023D-02 -0.396467D-03 -0.146530D-02 -0.443632D-03
     26 -0.270870D-01  0.166837D-02  0.702108D-03 -0.284286D-04 -0.109365D-04
     27 -0.144823D-01  0.186422D-02 -0.510272D-03 -0.574396D-04 -0.755762D-03
     28  0.638465D-02  0.707371D-03 -0.202671D-02  0.632463D-03 -0.189750D-02
     29  0.798625D-02  0.170909D-02 -0.347112D-02  0.335715D-03  0.711297D-03
     30  0.301126D-02 -0.337160D-03  0.725183D-03  0.467299D-03 -0.198739D-03
     31 -0.789389D-02  0.377757D-03  0.261503D-02 -0.255285D-02 -0.781896D-03
     32  0.362675D-01 -0.565112D-03 -0.382726D-03  0.884326D-03  0.460447D-03
     33 -0.904029D-02  0.177091D-03  0.333652D-03 -0.325720D-03  0.190084D-03
     34  0.490376D-02 -0.230233D-04  0.165649D-02 -0.893850D-03 -0.192770D-02
     35 -0.219916D-01 -0.278820D-02 -0.596732D-02  0.198663D-02  0.180286D-02
     36  0.750285D-02 -0.358238D-03  0.291257D-02  0.103680D-03 -0.165071D-02
     37  0.401837D-02  0.273296D-01  0.104959D-01 -0.739220D-02 -0.279255D-02
     38 -0.207601D-03  0.282978D-01 -0.525872D-01  0.128188D-02 -0.494179D-02
     39 -0.120558D-02 -0.855587D-02  0.605135D-02 -0.191347D-02  0.215395D-02
               11            12            13            14            15 
     11  0.677888D+00
     12 -0.165515D-01  0.355410D-01
     13  0.764545D-02  0.172736D-02  0.429196D+00
     14  0.497443D-03 -0.586781D-03 -0.193521D+00  0.345620D+00
     15 -0.156049D-02  0.101022D-02 -0.169603D-01  0.568471D-01  0.676806D+00
     16  0.184775D-01 -0.664441D-02 -0.178039D-01  0.727851D-03  0.410130D-02
     17 -0.108125D+00  0.154541D-01  0.163506D-01  0.525485D-02 -0.290265D-02
     18  0.120851D-01  0.140695D-01  0.183955D-03 -0.416243D-03  0.544278D-02
     19  0.424518D-04 -0.444302D-02 -0.953646D-03  0.489814D-02 -0.152304D-01
     20 -0.236857D-03  0.290874D-03  0.244925D-02 -0.927026D-02  0.342753D-01
     21  0.209384D-03  0.184890D-02 -0.821886D-03  0.280283D-02 -0.831212D-02
     22 -0.494572D-03  0.265457D-03  0.238531D-02  0.636197D-03 -0.928904D-04
     23  0.193817D-02  0.663194D-03  0.126913D-02  0.283317D-02  0.534454D-04
     24  0.388651D-03  0.401628D-03  0.218205D-04  0.107570D-02 -0.708044D-04
     25  0.552243D-03  0.756423D-03 -0.224216D-03  0.122364D-02  0.796901D-03
     26  0.254153D-03 -0.338991D-03 -0.642859D-04  0.295221D-02 -0.711795D-03
     27  0.517780D-03  0.413318D-03  0.321515D-03  0.439896D-03  0.201341D-02
     28  0.794228D-03 -0.102939D-03 -0.837624D-03 -0.462041D-02 -0.118426D-02
     29  0.284403D-02 -0.633922D-04 -0.284656D-02 -0.492938D-02 -0.202561D-02
     30 -0.385106D-03 -0.688211D-03 -0.217689D-02 -0.381626D-02  0.288041D-03
     31 -0.103829D-03  0.734959D-03 -0.103977D+00  0.221000D-01 -0.164216D+00
     32 -0.562080D-03 -0.611128D-03  0.112642D-01 -0.419839D-01 -0.322397D-01
     33 -0.149446D-03 -0.152100D-04 -0.125843D+00 -0.594705D-02 -0.353871D+00
     34  0.176950D-02  0.322059D-03 -0.216923D+00  0.120777D+00  0.185722D+00
     35  0.225868D-03 -0.405629D-03  0.894031D-01 -0.716301D-01 -0.628321D-01
     36  0.546217D-03  0.227972D-04  0.160239D+00 -0.820402D-01 -0.216153D+00
     37 -0.152691D-01  0.388849D-02  0.699624D-02  0.575045D-03 -0.375097D-02
     38 -0.120090D-02  0.196547D-02 -0.133059D-02 -0.541152D-02 -0.596808D-03
     39  0.329129D-02  0.614958D-02 -0.116869D-02 -0.808253D-03 -0.858898D-02
               16            17            18            19            20 
     16  0.449117D+00
     17 -0.923251D-01  0.522741D+00
     18 -0.611647D-01 -0.489899D-01  0.529998D-01
     19 -0.362269D-02 -0.219109D-02 -0.385046D-02  0.551533D-01
     20 -0.498620D-03  0.458030D-03 -0.567695D-03 -0.189361D-02  0.600433D-01
     21  0.114632D-02 -0.187353D-03  0.683910D-03 -0.170882D-01 -0.187128D-01
     22 -0.991087D-03 -0.112773D-02  0.643738D-03  0.648206D-03  0.363313D-03
     23 -0.176799D-02 -0.754277D-03  0.118566D-02  0.111877D-02  0.107444D-02
     24 -0.122435D-02 -0.506309D-03  0.599801D-03 -0.711963D-04  0.945151D-03
     25 -0.589166D-04  0.152382D-03  0.236792D-03 -0.121016D-02 -0.300408D-02
     26  0.819454D-04 -0.332745D-03  0.188684D-03 -0.298546D-02 -0.353274D-02
     27 -0.621020D-03 -0.506558D-03  0.151032D-03 -0.168994D-02 -0.197584D-02
     28  0.164630D-03  0.113700D-02 -0.275253D-03  0.767320D-03  0.476622D-03
     29 -0.376773D-03  0.165004D-02 -0.152275D-03  0.280802D-03  0.759568D-03
     30  0.976501D-05 -0.822427D-04  0.101745D-03  0.655318D-03  0.362219D-03
     31 -0.161589D-02 -0.265498D-03  0.236852D-02 -0.804854D-04  0.278362D-03
     32 -0.767178D-03  0.477548D-03  0.115834D-02  0.302683D-02 -0.575501D-02
     33  0.664187D-03 -0.674077D-03 -0.510944D-03 -0.144283D-02  0.162177D-02
     34 -0.220804D-02  0.106879D-02 -0.796286D-03  0.993839D-03 -0.111742D-03
     35 -0.298361D-02  0.272305D-02 -0.119956D-02 -0.606680D-03  0.228231D-02
     36 -0.126351D-02  0.279245D-03  0.260281D-03 -0.991809D-03  0.101832D-02
     37 -0.252436D+00  0.193031D+00  0.155946D-01 -0.556806D-03  0.644632D-03
     38  0.160449D+00 -0.204013D+00 -0.343991D-02  0.519430D-03 -0.237010D-03
     39  0.201165D-01 -0.103144D-01 -0.231967D-01  0.827535D-03  0.309360D-03
               21            22            23            24            25 
     21  0.325662D+00
     22 -0.287119D-03  0.308905D+00
     23  0.421063D-03 -0.631827D-02  0.491285D-01
     24  0.941383D-03 -0.853345D-01  0.507099D-02  0.768063D-01
     25 -0.147271D-02  0.724988D-03 -0.274458D-02  0.308970D-01  0.480303D-01
     26 -0.212948D-02  0.151169D-03 -0.105904D-02 -0.123581D-02  0.379419D-02
     27  0.627938D-03  0.195650D-03  0.993038D-03 -0.884608D-02 -0.429489D-02
     28  0.614643D-04 -0.110027D-01  0.261441D-01 -0.868009D-02  0.879084D-04
     29 -0.294954D-03 -0.240681D-03  0.145980D-02 -0.799395D-03  0.127332D-03
     30  0.401913D-03  0.382229D-02 -0.104643D-01  0.218906D-02 -0.132463D-01
     31  0.458752D-03 -0.943889D-04 -0.162585D-03  0.431479D-03  0.530085D-03
     32  0.162526D-02 -0.354945D-03 -0.402648D-03  0.259003D-04  0.115113D-03
     33  0.126640D-02  0.280719D-03  0.485243D-03 -0.194403D-03  0.504144D-03
     34 -0.718146D-03 -0.708653D-04 -0.738556D-04  0.207986D-03 -0.261028D-04
     35 -0.124804D-04 -0.690516D-03 -0.430707D-03 -0.403411D-04  0.357844D-04
     36  0.119604D-02  0.242688D-04 -0.233454D-03  0.135206D-03  0.486344D-04
     37 -0.347196D-03 -0.497342D-03 -0.707939D-03 -0.180548D-03  0.152245D-03
     38 -0.107392D-03  0.358543D-03  0.565162D-03  0.269574D-03 -0.145213D-05
     39 -0.417879D-03 -0.335711D-04 -0.131313D-03 -0.104702D-03 -0.141535D-03
               26            27            28            29            30 
     26  0.510939D-01
     27 -0.186359D-01  0.331542D+00
     28 -0.208134D-02  0.641372D-03  0.973127D-01
     29 -0.645979D-03  0.563953D-03 -0.105580D+00  0.276317D+00
     30  0.287183D-01 -0.794654D-02  0.331426D-01 -0.664191D-01  0.682806D-01
     31  0.563178D-03  0.347101D-03 -0.228340D-03  0.109618D-04  0.737946D-04
     32 -0.367433D-03 -0.139612D-02  0.150938D-03  0.604401D-03 -0.415284D-03
     33  0.892097D-03 -0.336830D-04 -0.251538D-03 -0.876509D-03 -0.147758D-03
     34  0.462855D-04  0.133291D-03 -0.370226D-03 -0.442904D-03  0.115646D-03
     35  0.899962D-04  0.179697D-03 -0.559928D-03 -0.495955D-03  0.276631D-03
     36  0.448440D-04  0.119881D-03 -0.211663D-04  0.155684D-03  0.218894D-03
     37 -0.243167D-03 -0.142516D-03  0.407887D-03  0.111034D-02  0.211274D-03
     38  0.115957D-03  0.136302D-03 -0.891243D-04 -0.347155D-03 -0.121244D-03
     39 -0.927367D-04 -0.118255D-03  0.914366D-05 -0.679487D-04  0.141677D-04
               31            32            33            34            35 
     31  0.101105D+00
     32 -0.188781D-01  0.497772D-01
     33  0.145375D+00  0.713283D-02  0.381927D+00
     34  0.980144D-02 -0.885676D-02 -0.145888D-01  0.218077D+00
     35 -0.606640D-03 -0.674759D-03 -0.118125D-02 -0.112336D+00  0.888756D-01
     36  0.284329D-01 -0.120276D-01 -0.230637D-01 -0.176023D+00  0.831932D-01
     37 -0.279858D-03  0.183843D-03 -0.123609D-02  0.187156D-02  0.346287D-02
     38 -0.910942D-04 -0.557368D-04  0.358096D-03  0.167835D-02  0.452701D-03
     39 -0.419771D-02 -0.244859D-02  0.825063D-03  0.170012D-02  0.168081D-02
               36            37            38            39 
     36  0.230623D+00
     37  0.128066D-02  0.223795D+00
     38 -0.458117D-04 -0.182062D+00  0.265054D+00
     39 -0.225245D-03 -0.117326D-01  0.475338D-03  0.286207D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.598907D+02 -0.108443D+01 -0.404666D+00
      2  -0.108443D+01  0.616902D+02 -0.546222D+00
      3  -0.404666D+00 -0.546222D+00  0.453449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.578875D+00  0.226422D+01  0.581221D+01
      2  -0.323337D+01 -0.176014D+01 -0.192778D+02
      3   0.247009D+01  0.112707D+02  0.126632D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439689D+02 -0.359024D+00 -0.937857D+00
      2   0.270410D+02 -0.769106D+01  0.114366D+01
      3   0.169279D+02  0.805008D+01 -0.205805D+00
      4  -0.123837D+02 -0.215800D+02 -0.563467D+01
      5  -0.107442D+01 -0.685223D+01 -0.421784D+02
      6  -0.430787D+01 -0.218093D+01 -0.702810D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.562711D+01 -0.451633D+00 -0.248589D+01 -0.157201D+01 -0.345667D+01
      2  -0.451633D+00 -0.442663D+01 -0.201084D+00 -0.345667D+01  0.252674D+01
      3  -0.248589D+01 -0.201084D+00  0.122885D+00 -0.336302D+00 -0.212090D+01
                 6             7             8             9            10 
      1  -0.336302D+00 -0.311171D+01 -0.706124D+00  0.463044D+00 -0.468508D+01
      2  -0.212090D+01 -0.706124D+00 -0.260012D+01 -0.380229D-01  0.108508D+01
      3  -0.286406D+00  0.463044D+00 -0.380229D-01  0.733541D+01  0.839691D+00
                11            12            13            14            15 
      1   0.108508D+01  0.839691D+00  0.172406D+01  0.286040D+01  0.415850D+00
      2   0.388690D+01  0.420719D+00  0.286040D+01 -0.127698D+01  0.122488D+01
      3   0.420719D+00  0.877087D-01  0.415850D+00  0.122488D+01  0.764169D+00
                16            17            18            19            20 
      1   0.805769D+00  0.964415D+00  0.347231D+00  0.339779D+01  0.909854D+00
      2   0.964415D+00  0.206952D+01  0.280232D+00  0.909854D+00 -0.308906D+01
      3   0.347231D+00  0.280232D+00 -0.739480D+01 -0.140498D+00  0.175781D+00
                21            22            23            24            25 
      1  -0.140498D+00  0.185845D+01 -0.368502D+01  0.183278D+00 -0.740628D+00
      2   0.175781D+00 -0.368502D+01  0.331987D+01 -0.312062D-01  0.368448D+00
      3   0.401373D+00  0.183278D+00 -0.312062D-01  0.491067D+00  0.121758D+00
                26            27            28            29            30 
      1   0.368448D+00  0.121758D+00  0.538199D+01 -0.421951D+01  0.235328D+00
      2  -0.463495D+00  0.216321D+00 -0.421951D+01  0.400665D+01 -0.269455D+00
      3   0.216321D+00  0.533166D+00  0.235328D+00 -0.269455D+00  0.929946D+00
                31            32            33            34            35 
      1  -0.432100D+01  0.378338D+01 -0.201815D-01  0.339980D+00  0.117648D-01
      2   0.378338D+01 -0.101114D+02  0.150226D+00  0.117648D-01  0.552830D-01
      3  -0.201815D-01  0.150226D+00 -0.212902D+01  0.199223D+01 -0.274569D+01
                36            37            38            39            40 
      1   0.199223D+01  0.298300D+01 -0.151513D+01 -0.822596D+00 -0.152395D+01
      2  -0.274569D+01 -0.151513D+01 -0.590785D+00  0.363579D+00 -0.766260D+00
      3   0.143618D+00 -0.822596D+00  0.363579D+00  0.273128D+01  0.464111D+00
                41            42            43            44            45 
      1  -0.766260D+00  0.464111D+00 -0.102595D+01  0.657199D+00  0.297036D+01
      2   0.551198D+01 -0.894114D+00  0.657199D+00 -0.110785D+01 -0.138875D+00
      3  -0.894114D+00 -0.241850D+00  0.297036D+01 -0.138875D+00  0.295936D+01
                46            47            48            49            50 
      1   0.699219D+01  0.168471D+01 -0.704237D+00 -0.182034D+01  0.339544D+01
      2   0.168471D+01  0.330160D+01 -0.330765D+00  0.339544D+01  0.252016D+01
      3  -0.704237D+00 -0.330765D+00  0.694214D+00 -0.112435D-01 -0.365396D+00
                51            52            53            54            55 
      1  -0.112435D-01 -0.766650D+00 -0.442934D+00  0.124791D+01  0.244137D+00
      2  -0.365396D+00 -0.442934D+00 -0.327931D+00  0.176866D+01 -0.200085D+00
      3   0.757787D+00  0.124791D+01  0.176866D+01 -0.106823D+01  0.105489D+01
                56            57            58            59            60 
      1  -0.200085D+00  0.105489D+01 -0.490749D+00 -0.689112D+00  0.224584D-01
      2  -0.697949D+00 -0.373729D-01 -0.689112D+00  0.668996D-01  0.115545D+01
      3  -0.373729D-01 -0.522845D+00  0.224584D-01  0.115545D+01 -0.484037D+00
                61            62            63            64            65 
      1   0.167241D+01 -0.131711D+00 -0.611347D+00 -0.967282D+01 -0.142509D+01
      2  -0.131711D+00  0.143229D+01 -0.400015D-01 -0.142509D+01 -0.133991D+01
      3  -0.611347D+00 -0.400015D-01  0.926312D+01  0.156824D+01  0.123001D+00
                66            67            68            69            70 
      1   0.156824D+01  0.129916D+00 -0.926559D+00  0.136359D+00  0.242114D+01
      2   0.123001D+00 -0.926559D+00 -0.660839D+00  0.548963D+00  0.403443D+00
      3  -0.157292D+01  0.136359D+00  0.548963D+00  0.934866D-01 -0.154581D+01
                71            72            73            74            75 
      1   0.403443D+00 -0.154581D+01 -0.802940D+00 -0.119448D+00 -0.773245D+00
      2   0.974551D+00 -0.229634D+00 -0.119448D+00  0.545821D+00  0.488057D-01
      3  -0.229634D+00  0.350455D+00 -0.773245D+00  0.488057D-01  0.515570D-01
                76            77            78            79            80 
      1   0.338412D+00  0.225201D+00  0.137177D+00 -0.131699D+01 -0.353742D+00
      2   0.225201D+00 -0.463530D+00 -0.842722D+00 -0.353742D+00 -0.167032D+01
      3   0.137177D+00 -0.842722D+00  0.293806D+00 -0.999446D+00 -0.957931D+00
                81            82            83            84            85 
      1  -0.999446D+00  0.780390D+00 -0.776702D+00  0.543788D+00 -0.140361D+01
      2  -0.957931D+00 -0.776702D+00  0.233638D+01 -0.116599D+00  0.101780D+01
      3  -0.881434D+01  0.543788D+00 -0.116599D+00  0.619632D+00 -0.204584D+00
                86            87            88            89            90 
      1   0.101780D+01 -0.204584D+00  0.788011D+00  0.434790D-01  0.195611D+00
      2  -0.823505D+01  0.107123D+01  0.434790D-01  0.169031D+01 -0.120086D+01
      3   0.107123D+01 -0.132254D+01  0.195611D+00 -0.120086D+01  0.545220D-01
                91            92            93            94            95 
      1  -0.158750D+01  0.107127D+01 -0.137427D+01  0.772682D+00 -0.214569D+00
      2   0.107127D+01 -0.629603D+00  0.629020D+00 -0.214569D+00  0.640639D+00
      3  -0.137427D+01  0.629020D+00 -0.190154D+01  0.288602D+00 -0.429638D+00
                96            97            98            99           100 
      1   0.288602D+00 -0.263473D+01  0.684320D+00 -0.249380D+01 -0.450960D+01
      2  -0.429638D+00  0.684320D+00 -0.180163D+01  0.109268D+01  0.269597D+01
      3   0.197105D+00 -0.249380D+01  0.109268D+01 -0.529548D+01  0.167775D+01
               101           102           103           104           105 
      1   0.269597D+01  0.167775D+01  0.279450D+01 -0.150311D+01 -0.914938D+00
      2  -0.226936D+01 -0.103851D+01 -0.150311D+01  0.188960D+01  0.754344D+00
      3  -0.103851D+01 -0.176364D+01 -0.914938D+00  0.754344D+00  0.952094D+00
               106           107           108           109           110 
      1   0.320263D+01 -0.147926D+01 -0.203522D+01 -0.414867D+01  0.126071D+01
      2  -0.147926D+01  0.181857D+01  0.134240D+01  0.126071D+01 -0.103407D+01
      3  -0.203522D+01  0.134240D+01  0.217208D+01  0.381052D+00  0.232883D+00
               111           112           113           114           115 
      1   0.381052D+00  0.351363D+01 -0.409244D-01 -0.160585D+00  0.366718D+00
      2   0.232883D+00 -0.409244D-01  0.427193D+01 -0.221114D+00 -0.193007D-01
      3   0.122346D+00 -0.160585D+00 -0.221114D+00  0.914334D+00  0.347487D+00
               116           117 
      1  -0.193007D-01  0.347487D+00
      2  -0.691931D-01  0.650718D+00
      3   0.650718D+00 -0.238891D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.445876D+01 -0.831728D-02 -0.352909D+00 -0.752073D+00 -0.696583D+01
      2   0.651681D+01  0.165173D+01  0.142393D+01  0.193923D+01  0.295047D+01
      3  -0.880263D+01 -0.989718D+01  0.315038D+01 -0.120631D+01  0.126882D+02
                 6             7             8             9            10 
      1  -0.279544D+01  0.124661D+01  0.240135D+01  0.946021D+01  0.117117D+01
      2   0.787619D+00 -0.355135D+01 -0.186334D+00 -0.103177D+02  0.110251D+01
      3  -0.328264D+01  0.334325D+01 -0.356811D+01 -0.992600D+00  0.434291D+01
                11            12            13            14            15 
      1   0.101588D+01 -0.235384D+00  0.167794D+01  0.717809D+00  0.478907D+00
      2   0.138263D+01  0.351023D+01 -0.140674D+01 -0.359003D+01 -0.113557D+01
      3  -0.240261D+01 -0.129871D+01  0.179302D+01 -0.275041D+01  0.161123D+01
                16            17            18            19            20 
      1   0.432844D-01  0.537435D+01 -0.103214D+01  0.103263D+00  0.867059D+00
      2  -0.328373D+01 -0.615154D+00  0.271902D+01 -0.514678D+01 -0.177190D+01
      3   0.589494D+00  0.282285D+01 -0.322939D+00  0.295737D+01  0.263737D+01
                21            22            23            24            25 
      1  -0.125294D+01  0.208700D+01  0.107145D+01  0.760134D+01  0.270059D+01
      2  -0.614551D+01 -0.152198D+01  0.112608D+01  0.283326D+01 -0.184135D+02
      3   0.840489D+00  0.279920D+01 -0.630423D+01 -0.186177D+01 -0.161877D+00
                26            27            28            29            30 
      1   0.951631D+01 -0.211527D+01 -0.330701D+00  0.491837D+00  0.417954D+01
      2  -0.778589D+00  0.354963D+01 -0.801580D-01  0.939937D-01  0.709414D+01
      3  -0.284361D+01 -0.746173D+00 -0.211887D+01 -0.815912D+01  0.792985D-01
                31            32            33            34            35 
      1  -0.271882D+00 -0.780840D+00 -0.851790D+01 -0.706990D+00  0.170344D+01
      2   0.176350D+01 -0.291540D+00 -0.453956D+01  0.318774D+01 -0.212971D+01
      3   0.604557D+01  0.135931D+02  0.327057D+00  0.652705D+00  0.535349D+00
                36            37            38            39            40 
      1   0.364770D+00  0.211180D+01 -0.164063D+01 -0.542716D+01 -0.274609D+01
      2  -0.104439D+01  0.181287D+01 -0.229240D+01  0.698971D+00 -0.125603D+01
      3   0.315741D+01  0.426191D+01 -0.105080D+02 -0.165708D+00  0.157647D+01
                41            42            43            44            45 
      1   0.292290D+01 -0.443498D+01 -0.730819D+01  0.522379D+01 -0.455771D+01
      2   0.182525D+01  0.935503D+00 -0.717024D+01  0.140132D+01 -0.245236D+01
      3   0.284798D+01  0.221588D+00 -0.141235D+01  0.235505D+00  0.589991D+01
                46            47            48            49            50 
      1   0.128005D+01 -0.114341D+01 -0.333801D+01 -0.739079D+00  0.472076D+00
      2   0.186092D+01 -0.359931D+00  0.595499D+01 -0.872468D+00 -0.369849D+00
      3   0.129453D+02 -0.124931D+02 -0.464633D+00 -0.763357D+01  0.953137D+00
                51            52            53            54            55 
      1  -0.492425D+01 -0.252392D+01  0.133329D+01  0.142930D+01  0.884397D-01
      2   0.911297D+00  0.398490D+01  0.233708D+01 -0.232815D+01 -0.120053D+00
      3   0.721443D+00 -0.136160D+01  0.185840D+01 -0.157058D+01 -0.721593D+00
                56            57            58            59            60 
      1  -0.704976D+00 -0.299783D+00 -0.778988D+00  0.228164D+00 -0.519543D+00
      2  -0.203653D+00  0.307425D+00  0.191622D+00  0.102048D+00  0.608802D+00
      3  -0.122926D+01  0.110171D+00  0.814359D+00  0.479351D+00  0.817414D+00
                61            62            63            64            65 
      1  -0.562044D+00  0.309095D+01  0.115251D+01  0.180281D+01 -0.567929D-01
      2  -0.243695D+01  0.362878D+00 -0.558796D+01 -0.388672D+01 -0.130086D+00
      3  -0.364940D+00  0.801710D+00  0.981847D-01  0.106298D+02 -0.331580D+01
                66            67            68            69            70 
      1  -0.222347D+01  0.237522D+00  0.743504D+00 -0.584444D+00 -0.170376D+01
      2   0.560569D+01 -0.359073D+00 -0.858283D+00 -0.294723D+00  0.168828D+01
      3  -0.223263D+01 -0.190939D+00 -0.870646D-02  0.817663D+00 -0.240392D+01
                71            72            73            74            75 
      1   0.720441D+00  0.421376D+00 -0.872221D+00 -0.265893D+00 -0.225907D+00
      2   0.139099D+00 -0.129769D+01  0.944808D+00 -0.707458D-01  0.696274D+00
      3   0.185263D+01  0.154735D+01  0.796534D+00  0.197406D+00  0.979402D+00
                76            77            78            79            80 
      1  -0.607128D-01 -0.110610D+01 -0.462730D+00 -0.970507D+00  0.257453D+01
      2  -0.798820D-01  0.120521D+01 -0.241003D+00 -0.194048D+01  0.995962D+00
      3   0.808869D+00 -0.109208D+01 -0.113924D+01  0.150665D+01 -0.227808D+01
                81            82            83            84            85 
      1  -0.117953D+02  0.123042D+01 -0.539697D+00  0.166797D+01 -0.857599D+00
      2   0.133976D+02 -0.840029D+00 -0.149217D+00 -0.185478D+00  0.197957D+00
      3   0.308361D-01 -0.437013D+01  0.472975D+01 -0.142943D+01  0.685820D+01
                86            87            88            89            90 
      1   0.325655D+01 -0.438286D+01  0.510836D+00 -0.790917D+00  0.455285D+00
      2  -0.104770D+01  0.139481D+01 -0.123668D+01  0.125925D+01  0.417349D-01
      3  -0.148064D+02  0.240483D+01 -0.184270D+01  0.278529D+01 -0.206434D+01
                91            92            93            94            95 
      1   0.241926D+01 -0.442660D+00  0.377682D+01 -0.407973D+00  0.132345D+01
      2   0.618544D+00 -0.673681D+00  0.287309D+01 -0.432192D+00  0.357761D+00
      3  -0.121155D+01  0.213010D+00 -0.141720D+01  0.177752D+01  0.138661D+00
                96            97            98            99           100 
      1  -0.777304D+00  0.517241D+01  0.777727D-01  0.942152D+01 -0.310261D+01
      2  -0.460773D+00  0.904018D+00 -0.154016D+01  0.617492D+01 -0.990791D+00
      3   0.149036D+00 -0.416994D+01 -0.184111D+01 -0.338949D+01 -0.485881D+01
               101           102           103           104           105 
      1   0.155650D+01  0.377780D+01  0.194474D+01 -0.929886D+00 -0.180409D+01
      2   0.143596D+01  0.304162D+01  0.100037D+01 -0.714986D+00 -0.156019D+01
      3   0.176559D+00  0.157916D+01  0.443033D+01  0.519648D+00 -0.102412D+01
               106           107           108           109           110 
      1   0.383587D+01 -0.103207D+01 -0.344942D+01 -0.144291D+01  0.871093D+00
      2   0.119507D+01 -0.157709D+01 -0.295181D+01 -0.199320D+01  0.813640D+00
      3   0.471094D+01  0.445252D+00 -0.209396D+01 -0.133102D+02  0.920414D+01
               111           112           113           114           115 
      1  -0.465716D-01  0.868438D+00 -0.679583D+00 -0.155469D+01 -0.274321D+00
      2  -0.219740D+01  0.835684D+00 -0.694429D+00  0.760517D+00 -0.286872D+01
      3   0.543670D+00  0.120689D+02 -0.679851D+01  0.353445D-01  0.914296D+00
               116           117 
      1   0.653633D+00 -0.293468D-01
      2   0.871717D+00  0.299313D+00
      3  -0.806062D+00  0.446399D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317007D+02 -0.837495D+01  0.109057D+02 -0.306406D+01  0.152864D+02
      2   0.156618D+02  0.124099D+02 -0.611102D+01  0.759950D+01 -0.169593D+02
      3   0.160389D+02 -0.403497D+01 -0.479472D+01 -0.453544D+01  0.167297D+01
      4  -0.105259D+02  0.992690D+01  0.606717D+01  0.127539D+02  0.481831D+01
      5   0.104931D+02  0.162498D+01 -0.862383D-01  0.181116D+01  0.697189D+01
      6   0.786413D+01  0.149512D+01  0.163219D+00  0.176837D+01  0.895396D+01
                 6             7             8             9            10 
      1  -0.331704D+01  0.136872D+02 -0.140636D+01  0.533029D+01  0.542903D+01
      2   0.588976D+01 -0.504999D+01  0.609210D+01  0.869574D+01 -0.145437D+01
      3  -0.257273D+01 -0.863722D+01 -0.468575D+01 -0.140260D+02 -0.397466D+01
      4   0.532435D+01  0.816674D+01  0.721872D+01  0.219807D+01 -0.185289D+01
      5   0.152428D+01 -0.804353D+00  0.115438D+01 -0.195782D+02 -0.248615D+01
      6   0.283558D+01 -0.334178D+00  0.777920D+00 -0.137128D+02 -0.293341D+00
                11            12            13            14            15 
      1  -0.458679D+01  0.355906D-01 -0.143064D+01 -0.232221D+00 -0.188663D+01
      2   0.438163D+01 -0.116739D+00 -0.401701D-01 -0.695721D+01  0.458696D+00
      3   0.205168D+00  0.811485D-01  0.147081D+01  0.718943D+01  0.142793D+01
      4  -0.391879D+01 -0.134512D+01 -0.150618D+02 -0.118039D+01 -0.336434D+01
      5  -0.119069D+01  0.111221D+01 -0.229140D+01 -0.249856D+01 -0.189424D+01
      6  -0.270142D+01  0.604827D+00 -0.246930D+01 -0.238204D+01 -0.493589D+01
                16            17            18            19            20 
      1  -0.642666D+01 -0.243064D+01  0.913372D+01 -0.831268D+01 -0.187356D+01
      2  -0.413815D+00  0.174305D+01  0.106338D+02  0.391539D+00  0.437760D+01
      3   0.684047D+01  0.687585D+00 -0.197675D+02  0.792114D+01 -0.250405D+01
      4  -0.166489D+01 -0.658574D+01 -0.241264D+01  0.770287D+01 -0.189287D+02
      5  -0.944414D+00 -0.899133D+00  0.122465D+02 -0.147180D+01  0.216068D+01
      6  -0.924844D+00  0.917437D+00  0.243446D+01 -0.320765D+00  0.502963D+00
                21            22            23            24            25 
      1  -0.222669D+01  0.995441D+01 -0.909159D+00 -0.330660D+00  0.160207D+01
      2  -0.128814D+01 -0.474729D+01 -0.753889D+01 -0.185052D+01 -0.237478D+01
      3   0.351484D+01 -0.520712D+01  0.844805D+01  0.218118D+01  0.772712D+00
      4   0.100316D+01 -0.218701D+02  0.137466D+02  0.585556D+00  0.153643D+01
      5  -0.746534D+01  0.306654D+01 -0.421954D+00  0.389725D+01  0.103441D+01
      6   0.810395D+00  0.118235D+00  0.139478D+01 -0.125899D+02 -0.198880D+00
                26            27            28            29            30 
      1   0.553529D+00 -0.620053D+01  0.235510D+02 -0.700540D+01  0.635563D+00
      2   0.702203D+00 -0.537899D+01 -0.936999D+01 -0.188580D+01 -0.299284D+00
      3  -0.125573D+01  0.115795D+02 -0.141811D+02  0.889120D+01 -0.336279D+00
      4   0.399166D+01  0.211700D+01 -0.236591D+02  0.258197D+02 -0.123578D+01
      5   0.747934D+00  0.265559D+01  0.276217D+01 -0.164182D+01  0.114475D+02
      6   0.377953D+01  0.186444D+01 -0.511254D+00  0.282777D+00 -0.590229D+01
                31            32            33            34            35 
      1  -0.951703D+01 -0.561953D+01 -0.351770D+00  0.315619D+00  0.301135D+00
      2  -0.148084D+01  0.204417D+02  0.953399D+00  0.428420D+00  0.468271D+00
      3   0.109979D+02 -0.148222D+02 -0.601629D+00 -0.744039D+00 -0.769406D+00
      4   0.269775D+02 -0.363638D+02  0.900643D+00 -0.282928D+00 -0.307738D+00
      5  -0.193169D+01  0.212632D+01 -0.909661D+01  0.120291D+02 -0.932723D+01
      6   0.660339D+00 -0.211883D+00  0.131607D+02 -0.495804D+01  0.104671D+02
                36            37            38            39            40 
      1   0.219295D+00  0.348488D+01  0.993833D+01  0.179798D+01  0.870362D+01
      2  -0.177028D+01 -0.387185D+01 -0.810473D+01  0.203729D+01 -0.555969D+01
      3   0.155098D+01  0.386976D+00 -0.183360D+01 -0.383528D+01 -0.314393D+01
      4  -0.961303D+01  0.122527D+02 -0.183765D+00 -0.329831D+01  0.557921D+01
      5   0.679832D+00  0.348028D+01 -0.300925D+01 -0.619712D+01 -0.230858D+01
      6  -0.651322D+00 -0.412179D+01  0.356854D+01  0.830272D+01  0.349925D+01
                41            42            43            44            45 
      1  -0.120678D+02 -0.104555D+00  0.149794D+01 -0.154173D+01 -0.102199D+02
      2   0.236093D+02 -0.219740D+01  0.319586D+01 -0.246565D+01  0.651675D+01
      3  -0.115415D+02  0.230196D+01 -0.469380D+01  0.400738D+01  0.370310D+01
      4  -0.110482D+02  0.363056D+01 -0.563286D+01  0.456042D+01  0.893475D+01
      5   0.258522D+01  0.144182D+01 -0.710989D+01  0.379094D+01 -0.794221D+01
      6  -0.358140D+01  0.513621D+01  0.112965D+02  0.227862D+01  0.528630D+01
                46            47            48            49            50 
      1   0.218916D+02  0.353287D+01 -0.869620D-01 -0.273630D+01  0.521555D+00
      2  -0.120300D+02  0.300463D+01  0.148664D+01  0.694655D+01  0.722837D+01
      3  -0.986163D+01 -0.653750D+01 -0.139968D+01 -0.421025D+01 -0.774992D+01
      4   0.218860D+02  0.188796D+02 -0.164302D+01  0.133356D+02  0.145060D+02
      5  -0.258379D+01 -0.976820D+00  0.109866D+02  0.440770D-01 -0.138246D+01
      6  -0.138441D+01 -0.823461D+00  0.535144D+01 -0.816663D+00 -0.193379D+01
                51            52            53            54            55 
      1   0.154500D+01  0.210905D+00  0.650877D+00 -0.424195D-01  0.503755D+00
      2  -0.294957D+00  0.118204D+01 -0.684392D+00 -0.407062D+01 -0.354196D+01
      3  -0.125005D+01 -0.139294D+01  0.335145D-01  0.411304D+01  0.303821D+01
      4  -0.118414D+01 -0.182291D+01 -0.199185D+01  0.673447D+01  0.610982D+00
      5   0.343463D+01  0.986000D+01  0.629421D+01 -0.437731D+01 -0.205331D+01
      6   0.105975D+02  0.315583D+01  0.783774D+01 -0.306318D+01 -0.702107D+00
                56            57            58            59            60 
      1   0.325600D+00 -0.175886D+01 -0.314741D+00 -0.365347D+01  0.609022D+00
      2   0.519951D-01  0.129791D+01 -0.716341D-01 -0.337821D-01  0.181212D+00
      3  -0.377595D+00  0.460951D+00  0.386375D+00  0.368726D+01 -0.790234D+00
      4   0.222616D+01 -0.334385D+00  0.360249D+01  0.422997D+00 -0.140671D+01
      5  -0.294113D+00  0.686651D+01 -0.179909D+00 -0.162587D+01  0.914607D+00
      6   0.692037D+00 -0.919163D-01  0.112985D+00 -0.776811D+00  0.708512D+01
                61            62            63            64            65 
      1   0.469748D+00  0.115830D+00 -0.182174D+02  0.521790D+02  0.475661D+01
      2   0.216658D+01  0.190630D+00 -0.182818D+02 -0.254445D+02  0.295083D+00
      3  -0.263633D+01 -0.306460D+00  0.364992D+02 -0.267345D+02 -0.505170D+01
      4  -0.758813D+00 -0.193715D+01  0.590397D+00  0.238674D+02  0.113979D+02
      5   0.592053D+01  0.727647D-01 -0.142972D+02 -0.717935D+01 -0.874478D+00
      6   0.411276D+00  0.460637D+01 -0.222385D+01 -0.463955D+01 -0.686946D+00
                66            67            68            69            70 
      1  -0.833666D+01 -0.199457D+01  0.357386D+01  0.591548D+00 -0.110474D+02
      2   0.433683D+01  0.318957D+01  0.773342D+00 -0.131877D+01  0.605365D+01
      3   0.399983D+01 -0.119501D+01 -0.434720D+01  0.727219D+00  0.499372D+01
      4  -0.383891D+01  0.794041D+01  0.328291D+01 -0.241401D+01 -0.575469D+01
      5   0.933450D+01 -0.344319D+00 -0.219549D+01 -0.425621D+00  0.984503D+01
      6   0.441599D+01 -0.715931D+00 -0.126417D+01  0.111103D+01  0.390750D+01
                71            72            73            74            75 
      1  -0.217249D+00  0.554038D+01  0.412331D+01  0.147679D+01  0.247962D+01
      2  -0.155832D+01 -0.561123D+01 -0.424078D+01 -0.177331D+01 -0.139321D+01
      3   0.177557D+01  0.708501D-01  0.117468D+00  0.296518D+00 -0.108640D+01
      4  -0.440977D+01  0.319120D+01  0.208518D+01  0.279348D+00  0.165785D+01
      5   0.122118D+01 -0.407571D+01  0.194187D+01  0.353350D+00  0.539094D+01
      6   0.187809D+01 -0.106333D+01  0.129497D+01 -0.339014D+00  0.548099D+00
                76            77            78            79            80 
      1  -0.260809D+00 -0.412945D+01 -0.143512D+01  0.291690D+01 -0.257424D+01
      2   0.220104D-01  0.231096D+01  0.270525D+01 -0.287899D+01  0.244053D+01
      3   0.238798D+00  0.181849D+01 -0.127013D+01 -0.379188D-01  0.133705D+00
      4   0.377247D+00  0.285585D+00  0.266093D+01  0.363665D+01  0.520490D+01
      5  -0.807121D+00  0.213759D+01 -0.602123D+00  0.789366D+01  0.255831D+01
      6   0.383400D+00  0.124163D+01  0.530885D+01  0.220161D+01  0.726154D+01
                81            82            83            84            85 
      1  -0.127582D+02 -0.119011D+01  0.740120D+01 -0.210924D+01  0.672117D+01
      2  -0.141693D+02  0.369406D+01 -0.103732D+02  0.196524D+01 -0.675176D+01
      3   0.269275D+02 -0.250395D+01  0.297201D+01  0.144006D+00  0.305894D-01
      4   0.176005D+01 -0.156620D+01  0.294900D+00 -0.143803D+01  0.457546D+01
      5   0.251802D+02 -0.151342D+01  0.354809D+00 -0.485605D+00  0.923216D+00
      6   0.198284D+02 -0.171256D+01  0.761599D+00 -0.255936D+01  0.461420D+00
                86            87            88            89            90 
      1  -0.236248D+02  0.336913D+01 -0.277056D+01  0.411110D+01 -0.499172D+01
      2   0.396442D+02 -0.540062D+01  0.153360D+01 -0.631627D+01  0.333012D+01
      3  -0.160194D+02  0.203149D+01  0.123696D+01  0.220517D+01  0.166161D+01
      4   0.143919D+02 -0.189292D+01 -0.225210D+01 -0.341741D+01  0.122532D+01
      5  -0.357769D+01  0.338135D+01  0.898560D+00  0.230911D+01  0.460287D+00
      6  -0.404498D+01  0.701603D+01 -0.128347D+01  0.734826D+01 -0.233118D+01
                91            92            93            94            95 
      1   0.519449D+01 -0.236185D+01  0.320397D+01 -0.253067D+01 -0.143064D+01
      2  -0.310372D+01  0.521488D+00 -0.274890D+01  0.110794D+01  0.156164D+01
      3  -0.209077D+01  0.184036D+01 -0.455073D+00  0.142272D+01 -0.131000D+00
      4  -0.648858D+01  0.513014D+01 -0.415521D+01  0.366057D+01 -0.176441D+01
      5   0.641150D+01 -0.237113D+01  0.891308D+01 -0.979419D+00  0.199828D+01
      6  -0.363207D+01  0.214304D+01 -0.596762D+01  0.186656D+01 -0.974865D+00
                96            97            98            99           100 
      1  -0.128652D+00  0.629850D+01  0.537127D+00  0.152490D+01  0.135392D+02
      2  -0.650133D+00 -0.626701D+01 -0.908355D+00 -0.862217D+01 -0.369153D+01
      3   0.778785D+00 -0.314887D-01  0.371228D+00  0.709727D+01 -0.984765D+01
      4   0.256222D+01 -0.695980D+01  0.591338D+01 -0.710980D+01 -0.180846D+02
      5  -0.102497D+01  0.104245D+02 -0.415549D+01  0.174073D+02 -0.934517D+01
      6   0.337145D+01 -0.732164D+01  0.453736D+01 -0.142323D+02  0.723926D+01
               101           102           103           104           105 
      1  -0.572427D+01 -0.461107D+01 -0.614269D+01  0.648785D+00  0.143309D+01
      2  -0.991584D+00  0.947406D+00  0.217057D+00  0.414499D+01  0.110315D+01
      3   0.671586D+01  0.366366D+01  0.592563D+01 -0.479377D+01 -0.253624D+01
      4   0.145186D+02  0.735515D+01  0.124220D+02 -0.868461D+01 -0.522235D+01
      5   0.553785D+01  0.884248D+01  0.373471D+01 -0.415149D+01 -0.311668D+01
      6  -0.530139D+01 -0.641838D+01 -0.496654D+01  0.410729D+01  0.465968D+01
               106           107           108           109           110 
      1  -0.701093D+01  0.166296D+01  0.269241D+01 -0.883868D+01  0.104952D+01
      2   0.304135D+01  0.912021D+00 -0.275296D+01  0.707422D+01 -0.119077D+01
      3   0.396958D+01 -0.257498D+01  0.605480D-01  0.176445D+01  0.141246D+00
      4   0.109862D+02 -0.851758D+01 -0.842234D+01 -0.731230D+01 -0.375185D+01
      5   0.992015D+01 -0.588027D+01 -0.900473D+01  0.113935D+01 -0.219589D+00
      6  -0.788060D+01  0.678160D+01  0.779193D+01  0.919495D+00  0.406155D+00
               111           112           113           114           115 
      1  -0.468541D+00  0.333526D+01 -0.949022D+01  0.370776D+00  0.526396D+00
      2   0.155765D+00 -0.187716D+01  0.140283D+02 -0.307366D+00 -0.347141D+00
      3   0.312776D+00 -0.145810D+01 -0.453804D+01 -0.634100D-01 -0.179255D+00
      4   0.659213D+00  0.559825D+01  0.650267D+01 -0.584445D+00  0.802973D+00
      5  -0.331469D+01 -0.737255D+00  0.342146D-01  0.156632D+01  0.923432D+00
      6   0.742872D+00 -0.306787D+00 -0.107396D+01  0.258850D+01  0.844481D+00
               116           117 
      1   0.601803D+00 -0.224084D+01
      2  -0.251674D+00  0.125108D+01
      3  -0.350129D+00  0.989766D+00
      4   0.278154D+00  0.806559D+00
      5   0.102887D+01  0.240977D+00
      6   0.321857D+01 -0.473684D+00
 Leave Link  716 at Thu Aug 12 19:23:37 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.598907D+02 -0.108443D+01 -0.404666D+00
      2  -0.108443D+01  0.616902D+02 -0.546222D+00
      3  -0.404666D+00 -0.546222D+00  0.453449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.578875D+00  0.226422D+01  0.581221D+01
      2  -0.323337D+01 -0.176014D+01 -0.192778D+02
      3   0.247009D+01  0.112707D+02  0.126632D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439689D+02 -0.359024D+00 -0.937857D+00
      2   0.270410D+02 -0.769106D+01  0.114366D+01
      3   0.169279D+02  0.805008D+01 -0.205805D+00
      4  -0.123837D+02 -0.215800D+02 -0.563467D+01
      5  -0.107442D+01 -0.685223D+01 -0.421784D+02
      6  -0.430787D+01 -0.218093D+01 -0.702810D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.562711D+01 -0.451633D+00 -0.248589D+01 -0.157201D+01 -0.345667D+01
      2  -0.451633D+00 -0.442663D+01 -0.201084D+00 -0.345667D+01  0.252674D+01
      3  -0.248589D+01 -0.201084D+00  0.122885D+00 -0.336302D+00 -0.212090D+01
                 6             7             8             9            10 
      1  -0.336302D+00 -0.311171D+01 -0.706124D+00  0.463044D+00 -0.468508D+01
      2  -0.212090D+01 -0.706124D+00 -0.260012D+01 -0.380229D-01  0.108508D+01
      3  -0.286406D+00  0.463044D+00 -0.380229D-01  0.733541D+01  0.839691D+00
                11            12            13            14            15 
      1   0.108508D+01  0.839691D+00  0.172406D+01  0.286040D+01  0.415850D+00
      2   0.388690D+01  0.420719D+00  0.286040D+01 -0.127698D+01  0.122488D+01
      3   0.420719D+00  0.877087D-01  0.415850D+00  0.122488D+01  0.764169D+00
                16            17            18            19            20 
      1   0.805769D+00  0.964415D+00  0.347231D+00  0.339779D+01  0.909854D+00
      2   0.964415D+00  0.206952D+01  0.280232D+00  0.909854D+00 -0.308906D+01
      3   0.347231D+00  0.280232D+00 -0.739480D+01 -0.140498D+00  0.175781D+00
                21            22            23            24            25 
      1  -0.140498D+00  0.185845D+01 -0.368502D+01  0.183278D+00 -0.740628D+00
      2   0.175781D+00 -0.368502D+01  0.331987D+01 -0.312062D-01  0.368448D+00
      3   0.401373D+00  0.183278D+00 -0.312062D-01  0.491067D+00  0.121758D+00
                26            27            28            29            30 
      1   0.368448D+00  0.121758D+00  0.538199D+01 -0.421951D+01  0.235328D+00
      2  -0.463495D+00  0.216321D+00 -0.421951D+01  0.400665D+01 -0.269455D+00
      3   0.216321D+00  0.533166D+00  0.235328D+00 -0.269455D+00  0.929946D+00
                31            32            33            34            35 
      1  -0.432100D+01  0.378338D+01 -0.201815D-01  0.339980D+00  0.117648D-01
      2   0.378338D+01 -0.101114D+02  0.150226D+00  0.117648D-01  0.552830D-01
      3  -0.201815D-01  0.150226D+00 -0.212902D+01  0.199223D+01 -0.274569D+01
                36            37            38            39            40 
      1   0.199223D+01  0.298300D+01 -0.151513D+01 -0.822596D+00 -0.152395D+01
      2  -0.274569D+01 -0.151513D+01 -0.590785D+00  0.363579D+00 -0.766260D+00
      3   0.143618D+00 -0.822596D+00  0.363579D+00  0.273128D+01  0.464111D+00
                41            42            43            44            45 
      1  -0.766260D+00  0.464111D+00 -0.102595D+01  0.657199D+00  0.297036D+01
      2   0.551198D+01 -0.894114D+00  0.657199D+00 -0.110785D+01 -0.138875D+00
      3  -0.894114D+00 -0.241850D+00  0.297036D+01 -0.138875D+00  0.295936D+01
                46            47            48            49            50 
      1   0.699219D+01  0.168471D+01 -0.704237D+00 -0.182034D+01  0.339544D+01
      2   0.168471D+01  0.330160D+01 -0.330765D+00  0.339544D+01  0.252016D+01
      3  -0.704237D+00 -0.330765D+00  0.694214D+00 -0.112435D-01 -0.365396D+00
                51            52            53            54            55 
      1  -0.112435D-01 -0.766650D+00 -0.442934D+00  0.124791D+01  0.244137D+00
      2  -0.365396D+00 -0.442934D+00 -0.327931D+00  0.176866D+01 -0.200085D+00
      3   0.757787D+00  0.124791D+01  0.176866D+01 -0.106823D+01  0.105489D+01
                56            57            58            59            60 
      1  -0.200085D+00  0.105489D+01 -0.490749D+00 -0.689112D+00  0.224584D-01
      2  -0.697949D+00 -0.373729D-01 -0.689112D+00  0.668996D-01  0.115545D+01
      3  -0.373729D-01 -0.522845D+00  0.224584D-01  0.115545D+01 -0.484037D+00
                61            62            63            64            65 
      1   0.167241D+01 -0.131711D+00 -0.611347D+00 -0.967282D+01 -0.142509D+01
      2  -0.131711D+00  0.143229D+01 -0.400015D-01 -0.142509D+01 -0.133991D+01
      3  -0.611347D+00 -0.400015D-01  0.926312D+01  0.156824D+01  0.123001D+00
                66            67            68            69            70 
      1   0.156824D+01  0.129916D+00 -0.926559D+00  0.136359D+00  0.242114D+01
      2   0.123001D+00 -0.926559D+00 -0.660839D+00  0.548963D+00  0.403443D+00
      3  -0.157292D+01  0.136359D+00  0.548963D+00  0.934866D-01 -0.154581D+01
                71            72            73            74            75 
      1   0.403443D+00 -0.154581D+01 -0.802940D+00 -0.119448D+00 -0.773245D+00
      2   0.974551D+00 -0.229634D+00 -0.119448D+00  0.545821D+00  0.488057D-01
      3  -0.229634D+00  0.350455D+00 -0.773245D+00  0.488057D-01  0.515570D-01
                76            77            78            79            80 
      1   0.338412D+00  0.225201D+00  0.137177D+00 -0.131699D+01 -0.353742D+00
      2   0.225201D+00 -0.463530D+00 -0.842722D+00 -0.353742D+00 -0.167032D+01
      3   0.137177D+00 -0.842722D+00  0.293806D+00 -0.999446D+00 -0.957931D+00
                81            82            83            84            85 
      1  -0.999446D+00  0.780390D+00 -0.776702D+00  0.543788D+00 -0.140361D+01
      2  -0.957931D+00 -0.776702D+00  0.233638D+01 -0.116599D+00  0.101780D+01
      3  -0.881434D+01  0.543788D+00 -0.116599D+00  0.619632D+00 -0.204584D+00
                86            87            88            89            90 
      1   0.101780D+01 -0.204584D+00  0.788011D+00  0.434790D-01  0.195611D+00
      2  -0.823505D+01  0.107123D+01  0.434790D-01  0.169031D+01 -0.120086D+01
      3   0.107123D+01 -0.132254D+01  0.195611D+00 -0.120086D+01  0.545220D-01
                91            92            93            94            95 
      1  -0.158750D+01  0.107127D+01 -0.137427D+01  0.772682D+00 -0.214569D+00
      2   0.107127D+01 -0.629603D+00  0.629020D+00 -0.214569D+00  0.640639D+00
      3  -0.137427D+01  0.629020D+00 -0.190154D+01  0.288602D+00 -0.429638D+00
                96            97            98            99           100 
      1   0.288602D+00 -0.263473D+01  0.684320D+00 -0.249380D+01 -0.450960D+01
      2  -0.429638D+00  0.684320D+00 -0.180163D+01  0.109268D+01  0.269597D+01
      3   0.197105D+00 -0.249380D+01  0.109268D+01 -0.529548D+01  0.167775D+01
               101           102           103           104           105 
      1   0.269597D+01  0.167775D+01  0.279450D+01 -0.150311D+01 -0.914938D+00
      2  -0.226936D+01 -0.103851D+01 -0.150311D+01  0.188960D+01  0.754344D+00
      3  -0.103851D+01 -0.176364D+01 -0.914938D+00  0.754344D+00  0.952094D+00
               106           107           108           109           110 
      1   0.320263D+01 -0.147926D+01 -0.203522D+01 -0.414867D+01  0.126071D+01
      2  -0.147926D+01  0.181857D+01  0.134240D+01  0.126071D+01 -0.103407D+01
      3  -0.203522D+01  0.134240D+01  0.217208D+01  0.381052D+00  0.232883D+00
               111           112           113           114           115 
      1   0.381052D+00  0.351363D+01 -0.409244D-01 -0.160585D+00  0.366718D+00
      2   0.232883D+00 -0.409244D-01  0.427193D+01 -0.221114D+00 -0.193007D-01
      3   0.122346D+00 -0.160585D+00 -0.221114D+00  0.914334D+00  0.347487D+00
               116           117 
      1  -0.193007D-01  0.347487D+00
      2  -0.691931D-01  0.650718D+00
      3   0.650718D+00 -0.238891D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.445876D+01 -0.831728D-02 -0.352909D+00 -0.752073D+00 -0.696583D+01
      2   0.651681D+01  0.165173D+01  0.142393D+01  0.193923D+01  0.295047D+01
      3  -0.880263D+01 -0.989718D+01  0.315038D+01 -0.120631D+01  0.126882D+02
                 6             7             8             9            10 
      1  -0.279544D+01  0.124661D+01  0.240135D+01  0.946021D+01  0.117117D+01
      2   0.787619D+00 -0.355135D+01 -0.186334D+00 -0.103177D+02  0.110251D+01
      3  -0.328264D+01  0.334325D+01 -0.356811D+01 -0.992600D+00  0.434291D+01
                11            12            13            14            15 
      1   0.101588D+01 -0.235384D+00  0.167794D+01  0.717809D+00  0.478907D+00
      2   0.138263D+01  0.351023D+01 -0.140674D+01 -0.359003D+01 -0.113557D+01
      3  -0.240261D+01 -0.129871D+01  0.179302D+01 -0.275041D+01  0.161123D+01
                16            17            18            19            20 
      1   0.432844D-01  0.537435D+01 -0.103214D+01  0.103263D+00  0.867059D+00
      2  -0.328373D+01 -0.615154D+00  0.271902D+01 -0.514678D+01 -0.177190D+01
      3   0.589494D+00  0.282285D+01 -0.322939D+00  0.295737D+01  0.263737D+01
                21            22            23            24            25 
      1  -0.125294D+01  0.208700D+01  0.107145D+01  0.760134D+01  0.270059D+01
      2  -0.614551D+01 -0.152198D+01  0.112608D+01  0.283326D+01 -0.184135D+02
      3   0.840489D+00  0.279920D+01 -0.630423D+01 -0.186177D+01 -0.161877D+00
                26            27            28            29            30 
      1   0.951631D+01 -0.211527D+01 -0.330701D+00  0.491837D+00  0.417954D+01
      2  -0.778589D+00  0.354963D+01 -0.801580D-01  0.939937D-01  0.709414D+01
      3  -0.284361D+01 -0.746173D+00 -0.211887D+01 -0.815912D+01  0.792985D-01
                31            32            33            34            35 
      1  -0.271882D+00 -0.780840D+00 -0.851790D+01 -0.706990D+00  0.170344D+01
      2   0.176350D+01 -0.291540D+00 -0.453956D+01  0.318774D+01 -0.212971D+01
      3   0.604557D+01  0.135931D+02  0.327057D+00  0.652705D+00  0.535349D+00
                36            37            38            39            40 
      1   0.364770D+00  0.211180D+01 -0.164063D+01 -0.542716D+01 -0.274609D+01
      2  -0.104439D+01  0.181287D+01 -0.229240D+01  0.698971D+00 -0.125603D+01
      3   0.315741D+01  0.426191D+01 -0.105080D+02 -0.165708D+00  0.157647D+01
                41            42            43            44            45 
      1   0.292290D+01 -0.443498D+01 -0.730819D+01  0.522379D+01 -0.455771D+01
      2   0.182525D+01  0.935503D+00 -0.717024D+01  0.140132D+01 -0.245236D+01
      3   0.284798D+01  0.221588D+00 -0.141235D+01  0.235505D+00  0.589991D+01
                46            47            48            49            50 
      1   0.128005D+01 -0.114341D+01 -0.333801D+01 -0.739079D+00  0.472076D+00
      2   0.186092D+01 -0.359931D+00  0.595499D+01 -0.872468D+00 -0.369849D+00
      3   0.129453D+02 -0.124931D+02 -0.464633D+00 -0.763357D+01  0.953137D+00
                51            52            53            54            55 
      1  -0.492425D+01 -0.252392D+01  0.133329D+01  0.142930D+01  0.884397D-01
      2   0.911297D+00  0.398490D+01  0.233708D+01 -0.232815D+01 -0.120053D+00
      3   0.721443D+00 -0.136160D+01  0.185840D+01 -0.157058D+01 -0.721593D+00
                56            57            58            59            60 
      1  -0.704976D+00 -0.299783D+00 -0.778988D+00  0.228164D+00 -0.519543D+00
      2  -0.203653D+00  0.307425D+00  0.191622D+00  0.102048D+00  0.608802D+00
      3  -0.122926D+01  0.110171D+00  0.814359D+00  0.479351D+00  0.817414D+00
                61            62            63            64            65 
      1  -0.562044D+00  0.309095D+01  0.115251D+01  0.180281D+01 -0.567929D-01
      2  -0.243695D+01  0.362878D+00 -0.558796D+01 -0.388672D+01 -0.130086D+00
      3  -0.364940D+00  0.801710D+00  0.981847D-01  0.106298D+02 -0.331580D+01
                66            67            68            69            70 
      1  -0.222347D+01  0.237522D+00  0.743504D+00 -0.584444D+00 -0.170376D+01
      2   0.560569D+01 -0.359073D+00 -0.858283D+00 -0.294723D+00  0.168828D+01
      3  -0.223263D+01 -0.190939D+00 -0.870646D-02  0.817663D+00 -0.240392D+01
                71            72            73            74            75 
      1   0.720441D+00  0.421376D+00 -0.872221D+00 -0.265893D+00 -0.225907D+00
      2   0.139099D+00 -0.129769D+01  0.944808D+00 -0.707458D-01  0.696274D+00
      3   0.185263D+01  0.154735D+01  0.796534D+00  0.197406D+00  0.979402D+00
                76            77            78            79            80 
      1  -0.607128D-01 -0.110610D+01 -0.462730D+00 -0.970507D+00  0.257453D+01
      2  -0.798820D-01  0.120521D+01 -0.241003D+00 -0.194048D+01  0.995962D+00
      3   0.808869D+00 -0.109208D+01 -0.113924D+01  0.150665D+01 -0.227808D+01
                81            82            83            84            85 
      1  -0.117953D+02  0.123042D+01 -0.539697D+00  0.166797D+01 -0.857599D+00
      2   0.133976D+02 -0.840029D+00 -0.149217D+00 -0.185478D+00  0.197957D+00
      3   0.308361D-01 -0.437013D+01  0.472975D+01 -0.142943D+01  0.685820D+01
                86            87            88            89            90 
      1   0.325655D+01 -0.438286D+01  0.510836D+00 -0.790917D+00  0.455285D+00
      2  -0.104770D+01  0.139481D+01 -0.123668D+01  0.125925D+01  0.417349D-01
      3  -0.148064D+02  0.240483D+01 -0.184270D+01  0.278529D+01 -0.206434D+01
                91            92            93            94            95 
      1   0.241926D+01 -0.442660D+00  0.377682D+01 -0.407973D+00  0.132345D+01
      2   0.618544D+00 -0.673681D+00  0.287309D+01 -0.432192D+00  0.357761D+00
      3  -0.121155D+01  0.213010D+00 -0.141720D+01  0.177752D+01  0.138661D+00
                96            97            98            99           100 
      1  -0.777304D+00  0.517241D+01  0.777727D-01  0.942152D+01 -0.310261D+01
      2  -0.460773D+00  0.904018D+00 -0.154016D+01  0.617492D+01 -0.990791D+00
      3   0.149036D+00 -0.416994D+01 -0.184111D+01 -0.338949D+01 -0.485881D+01
               101           102           103           104           105 
      1   0.155650D+01  0.377780D+01  0.194474D+01 -0.929886D+00 -0.180409D+01
      2   0.143596D+01  0.304162D+01  0.100037D+01 -0.714986D+00 -0.156019D+01
      3   0.176559D+00  0.157916D+01  0.443033D+01  0.519648D+00 -0.102412D+01
               106           107           108           109           110 
      1   0.383587D+01 -0.103207D+01 -0.344942D+01 -0.144291D+01  0.871093D+00
      2   0.119507D+01 -0.157709D+01 -0.295181D+01 -0.199320D+01  0.813640D+00
      3   0.471094D+01  0.445252D+00 -0.209396D+01 -0.133102D+02  0.920414D+01
               111           112           113           114           115 
      1  -0.465716D-01  0.868438D+00 -0.679583D+00 -0.155469D+01 -0.274321D+00
      2  -0.219740D+01  0.835684D+00 -0.694429D+00  0.760517D+00 -0.286872D+01
      3   0.543670D+00  0.120689D+02 -0.679851D+01  0.353445D-01  0.914296D+00
               116           117 
      1   0.653633D+00 -0.293468D-01
      2   0.871717D+00  0.299313D+00
      3  -0.806062D+00  0.446399D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.317007D+02 -0.837495D+01  0.109057D+02 -0.306406D+01  0.152864D+02
      2   0.156618D+02  0.124099D+02 -0.611102D+01  0.759950D+01 -0.169593D+02
      3   0.160389D+02 -0.403497D+01 -0.479472D+01 -0.453544D+01  0.167297D+01
      4  -0.105259D+02  0.992690D+01  0.606717D+01  0.127539D+02  0.481831D+01
      5   0.104931D+02  0.162498D+01 -0.862383D-01  0.181116D+01  0.697189D+01
      6   0.786413D+01  0.149512D+01  0.163219D+00  0.176837D+01  0.895396D+01
                 6             7             8             9            10 
      1  -0.331704D+01  0.136872D+02 -0.140636D+01  0.533029D+01  0.542903D+01
      2   0.588976D+01 -0.504999D+01  0.609210D+01  0.869574D+01 -0.145437D+01
      3  -0.257273D+01 -0.863722D+01 -0.468575D+01 -0.140260D+02 -0.397466D+01
      4   0.532435D+01  0.816674D+01  0.721872D+01  0.219807D+01 -0.185289D+01
      5   0.152428D+01 -0.804353D+00  0.115438D+01 -0.195782D+02 -0.248615D+01
      6   0.283558D+01 -0.334178D+00  0.777920D+00 -0.137128D+02 -0.293341D+00
                11            12            13            14            15 
      1  -0.458679D+01  0.355906D-01 -0.143064D+01 -0.232221D+00 -0.188663D+01
      2   0.438163D+01 -0.116739D+00 -0.401701D-01 -0.695721D+01  0.458696D+00
      3   0.205168D+00  0.811485D-01  0.147081D+01  0.718943D+01  0.142793D+01
      4  -0.391879D+01 -0.134512D+01 -0.150618D+02 -0.118039D+01 -0.336434D+01
      5  -0.119069D+01  0.111221D+01 -0.229140D+01 -0.249856D+01 -0.189424D+01
      6  -0.270142D+01  0.604827D+00 -0.246930D+01 -0.238204D+01 -0.493589D+01
                16            17            18            19            20 
      1  -0.642666D+01 -0.243064D+01  0.913372D+01 -0.831268D+01 -0.187356D+01
      2  -0.413815D+00  0.174305D+01  0.106338D+02  0.391539D+00  0.437760D+01
      3   0.684047D+01  0.687585D+00 -0.197675D+02  0.792114D+01 -0.250405D+01
      4  -0.166489D+01 -0.658574D+01 -0.241264D+01  0.770287D+01 -0.189287D+02
      5  -0.944414D+00 -0.899133D+00  0.122465D+02 -0.147180D+01  0.216068D+01
      6  -0.924844D+00  0.917437D+00  0.243446D+01 -0.320765D+00  0.502963D+00
                21            22            23            24            25 
      1  -0.222669D+01  0.995441D+01 -0.909159D+00 -0.330660D+00  0.160207D+01
      2  -0.128814D+01 -0.474729D+01 -0.753889D+01 -0.185052D+01 -0.237478D+01
      3   0.351484D+01 -0.520712D+01  0.844805D+01  0.218118D+01  0.772712D+00
      4   0.100316D+01 -0.218701D+02  0.137466D+02  0.585556D+00  0.153643D+01
      5  -0.746534D+01  0.306654D+01 -0.421954D+00  0.389725D+01  0.103441D+01
      6   0.810395D+00  0.118235D+00  0.139478D+01 -0.125899D+02 -0.198880D+00
                26            27            28            29            30 
      1   0.553529D+00 -0.620053D+01  0.235510D+02 -0.700540D+01  0.635563D+00
      2   0.702203D+00 -0.537899D+01 -0.936999D+01 -0.188580D+01 -0.299284D+00
      3  -0.125573D+01  0.115795D+02 -0.141811D+02  0.889120D+01 -0.336279D+00
      4   0.399166D+01  0.211700D+01 -0.236591D+02  0.258197D+02 -0.123578D+01
      5   0.747934D+00  0.265559D+01  0.276217D+01 -0.164182D+01  0.114475D+02
      6   0.377953D+01  0.186444D+01 -0.511254D+00  0.282777D+00 -0.590229D+01
                31            32            33            34            35 
      1  -0.951703D+01 -0.561953D+01 -0.351770D+00  0.315619D+00  0.301135D+00
      2  -0.148084D+01  0.204417D+02  0.953399D+00  0.428420D+00  0.468271D+00
      3   0.109979D+02 -0.148222D+02 -0.601629D+00 -0.744039D+00 -0.769406D+00
      4   0.269775D+02 -0.363638D+02  0.900643D+00 -0.282928D+00 -0.307738D+00
      5  -0.193169D+01  0.212632D+01 -0.909661D+01  0.120291D+02 -0.932723D+01
      6   0.660339D+00 -0.211883D+00  0.131607D+02 -0.495804D+01  0.104671D+02
                36            37            38            39            40 
      1   0.219295D+00  0.348488D+01  0.993833D+01  0.179798D+01  0.870362D+01
      2  -0.177028D+01 -0.387185D+01 -0.810473D+01  0.203729D+01 -0.555969D+01
      3   0.155098D+01  0.386976D+00 -0.183360D+01 -0.383528D+01 -0.314393D+01
      4  -0.961303D+01  0.122527D+02 -0.183765D+00 -0.329831D+01  0.557921D+01
      5   0.679832D+00  0.348028D+01 -0.300925D+01 -0.619712D+01 -0.230858D+01
      6  -0.651322D+00 -0.412179D+01  0.356854D+01  0.830272D+01  0.349925D+01
                41            42            43            44            45 
      1  -0.120678D+02 -0.104555D+00  0.149794D+01 -0.154173D+01 -0.102199D+02
      2   0.236093D+02 -0.219740D+01  0.319586D+01 -0.246565D+01  0.651675D+01
      3  -0.115415D+02  0.230196D+01 -0.469380D+01  0.400738D+01  0.370310D+01
      4  -0.110482D+02  0.363056D+01 -0.563286D+01  0.456042D+01  0.893475D+01
      5   0.258522D+01  0.144182D+01 -0.710989D+01  0.379094D+01 -0.794221D+01
      6  -0.358140D+01  0.513621D+01  0.112965D+02  0.227862D+01  0.528630D+01
                46            47            48            49            50 
      1   0.218916D+02  0.353287D+01 -0.869620D-01 -0.273630D+01  0.521555D+00
      2  -0.120300D+02  0.300463D+01  0.148664D+01  0.694655D+01  0.722837D+01
      3  -0.986163D+01 -0.653750D+01 -0.139968D+01 -0.421025D+01 -0.774992D+01
      4   0.218860D+02  0.188796D+02 -0.164302D+01  0.133356D+02  0.145060D+02
      5  -0.258379D+01 -0.976820D+00  0.109866D+02  0.440770D-01 -0.138246D+01
      6  -0.138441D+01 -0.823461D+00  0.535144D+01 -0.816663D+00 -0.193379D+01
                51            52            53            54            55 
      1   0.154500D+01  0.210905D+00  0.650877D+00 -0.424195D-01  0.503755D+00
      2  -0.294957D+00  0.118204D+01 -0.684392D+00 -0.407062D+01 -0.354196D+01
      3  -0.125005D+01 -0.139294D+01  0.335145D-01  0.411304D+01  0.303821D+01
      4  -0.118414D+01 -0.182291D+01 -0.199185D+01  0.673447D+01  0.610982D+00
      5   0.343463D+01  0.986000D+01  0.629421D+01 -0.437731D+01 -0.205331D+01
      6   0.105975D+02  0.315583D+01  0.783774D+01 -0.306318D+01 -0.702107D+00
                56            57            58            59            60 
      1   0.325600D+00 -0.175886D+01 -0.314741D+00 -0.365347D+01  0.609022D+00
      2   0.519951D-01  0.129791D+01 -0.716341D-01 -0.337821D-01  0.181212D+00
      3  -0.377595D+00  0.460951D+00  0.386375D+00  0.368726D+01 -0.790234D+00
      4   0.222616D+01 -0.334385D+00  0.360249D+01  0.422997D+00 -0.140671D+01
      5  -0.294113D+00  0.686651D+01 -0.179909D+00 -0.162587D+01  0.914607D+00
      6   0.692037D+00 -0.919163D-01  0.112985D+00 -0.776811D+00  0.708512D+01
                61            62            63            64            65 
      1   0.469748D+00  0.115830D+00 -0.182174D+02  0.521790D+02  0.475661D+01
      2   0.216658D+01  0.190630D+00 -0.182818D+02 -0.254445D+02  0.295083D+00
      3  -0.263633D+01 -0.306460D+00  0.364992D+02 -0.267345D+02 -0.505170D+01
      4  -0.758813D+00 -0.193715D+01  0.590397D+00  0.238674D+02  0.113979D+02
      5   0.592053D+01  0.727647D-01 -0.142972D+02 -0.717935D+01 -0.874478D+00
      6   0.411276D+00  0.460637D+01 -0.222385D+01 -0.463955D+01 -0.686946D+00
                66            67            68            69            70 
      1  -0.833666D+01 -0.199457D+01  0.357386D+01  0.591548D+00 -0.110474D+02
      2   0.433683D+01  0.318957D+01  0.773342D+00 -0.131877D+01  0.605365D+01
      3   0.399983D+01 -0.119501D+01 -0.434720D+01  0.727219D+00  0.499372D+01
      4  -0.383891D+01  0.794041D+01  0.328291D+01 -0.241401D+01 -0.575469D+01
      5   0.933450D+01 -0.344319D+00 -0.219549D+01 -0.425621D+00  0.984503D+01
      6   0.441599D+01 -0.715931D+00 -0.126417D+01  0.111103D+01  0.390750D+01
                71            72            73            74            75 
      1  -0.217249D+00  0.554038D+01  0.412331D+01  0.147679D+01  0.247962D+01
      2  -0.155832D+01 -0.561123D+01 -0.424078D+01 -0.177331D+01 -0.139321D+01
      3   0.177557D+01  0.708501D-01  0.117468D+00  0.296518D+00 -0.108640D+01
      4  -0.440977D+01  0.319120D+01  0.208518D+01  0.279348D+00  0.165785D+01
      5   0.122118D+01 -0.407571D+01  0.194187D+01  0.353350D+00  0.539094D+01
      6   0.187809D+01 -0.106333D+01  0.129497D+01 -0.339014D+00  0.548099D+00
                76            77            78            79            80 
      1  -0.260809D+00 -0.412945D+01 -0.143512D+01  0.291690D+01 -0.257424D+01
      2   0.220104D-01  0.231096D+01  0.270525D+01 -0.287899D+01  0.244053D+01
      3   0.238798D+00  0.181849D+01 -0.127013D+01 -0.379188D-01  0.133705D+00
      4   0.377247D+00  0.285585D+00  0.266093D+01  0.363665D+01  0.520490D+01
      5  -0.807121D+00  0.213759D+01 -0.602123D+00  0.789366D+01  0.255831D+01
      6   0.383400D+00  0.124163D+01  0.530885D+01  0.220161D+01  0.726154D+01
                81            82            83            84            85 
      1  -0.127582D+02 -0.119011D+01  0.740120D+01 -0.210924D+01  0.672117D+01
      2  -0.141693D+02  0.369406D+01 -0.103732D+02  0.196524D+01 -0.675176D+01
      3   0.269275D+02 -0.250395D+01  0.297201D+01  0.144006D+00  0.305894D-01
      4   0.176005D+01 -0.156620D+01  0.294900D+00 -0.143803D+01  0.457546D+01
      5   0.251802D+02 -0.151342D+01  0.354809D+00 -0.485605D+00  0.923216D+00
      6   0.198284D+02 -0.171256D+01  0.761599D+00 -0.255936D+01  0.461420D+00
                86            87            88            89            90 
      1  -0.236248D+02  0.336913D+01 -0.277056D+01  0.411110D+01 -0.499172D+01
      2   0.396442D+02 -0.540062D+01  0.153360D+01 -0.631627D+01  0.333012D+01
      3  -0.160194D+02  0.203149D+01  0.123696D+01  0.220517D+01  0.166161D+01
      4   0.143919D+02 -0.189292D+01 -0.225210D+01 -0.341741D+01  0.122532D+01
      5  -0.357769D+01  0.338135D+01  0.898560D+00  0.230911D+01  0.460287D+00
      6  -0.404498D+01  0.701603D+01 -0.128347D+01  0.734826D+01 -0.233118D+01
                91            92            93            94            95 
      1   0.519449D+01 -0.236185D+01  0.320397D+01 -0.253067D+01 -0.143064D+01
      2  -0.310372D+01  0.521488D+00 -0.274890D+01  0.110794D+01  0.156164D+01
      3  -0.209077D+01  0.184036D+01 -0.455073D+00  0.142272D+01 -0.131000D+00
      4  -0.648858D+01  0.513014D+01 -0.415521D+01  0.366057D+01 -0.176441D+01
      5   0.641150D+01 -0.237113D+01  0.891308D+01 -0.979419D+00  0.199828D+01
      6  -0.363207D+01  0.214304D+01 -0.596762D+01  0.186656D+01 -0.974865D+00
                96            97            98            99           100 
      1  -0.128652D+00  0.629850D+01  0.537127D+00  0.152490D+01  0.135392D+02
      2  -0.650133D+00 -0.626701D+01 -0.908355D+00 -0.862217D+01 -0.369153D+01
      3   0.778785D+00 -0.314887D-01  0.371228D+00  0.709727D+01 -0.984765D+01
      4   0.256222D+01 -0.695980D+01  0.591338D+01 -0.710980D+01 -0.180846D+02
      5  -0.102497D+01  0.104245D+02 -0.415549D+01  0.174073D+02 -0.934517D+01
      6   0.337145D+01 -0.732164D+01  0.453736D+01 -0.142323D+02  0.723926D+01
               101           102           103           104           105 
      1  -0.572427D+01 -0.461107D+01 -0.614269D+01  0.648785D+00  0.143309D+01
      2  -0.991584D+00  0.947406D+00  0.217057D+00  0.414499D+01  0.110315D+01
      3   0.671586D+01  0.366366D+01  0.592563D+01 -0.479377D+01 -0.253624D+01
      4   0.145186D+02  0.735515D+01  0.124220D+02 -0.868461D+01 -0.522235D+01
      5   0.553785D+01  0.884248D+01  0.373471D+01 -0.415149D+01 -0.311668D+01
      6  -0.530139D+01 -0.641838D+01 -0.496654D+01  0.410729D+01  0.465968D+01
               106           107           108           109           110 
      1  -0.701093D+01  0.166296D+01  0.269241D+01 -0.883868D+01  0.104952D+01
      2   0.304135D+01  0.912021D+00 -0.275296D+01  0.707422D+01 -0.119077D+01
      3   0.396958D+01 -0.257498D+01  0.605480D-01  0.176445D+01  0.141246D+00
      4   0.109862D+02 -0.851758D+01 -0.842234D+01 -0.731230D+01 -0.375185D+01
      5   0.992015D+01 -0.588027D+01 -0.900473D+01  0.113935D+01 -0.219589D+00
      6  -0.788060D+01  0.678160D+01  0.779193D+01  0.919495D+00  0.406155D+00
               111           112           113           114           115 
      1  -0.468541D+00  0.333526D+01 -0.949022D+01  0.370776D+00  0.526396D+00
      2   0.155765D+00 -0.187716D+01  0.140283D+02 -0.307366D+00 -0.347141D+00
      3   0.312776D+00 -0.145810D+01 -0.453804D+01 -0.634100D-01 -0.179255D+00
      4   0.659213D+00  0.559825D+01  0.650267D+01 -0.584445D+00  0.802973D+00
      5  -0.331469D+01 -0.737255D+00  0.342146D-01  0.156632D+01  0.923432D+00
      6   0.742872D+00 -0.306787D+00 -0.107396D+01  0.258850D+01  0.844481D+00
               116           117 
      1   0.601803D+00 -0.224084D+01
      2  -0.251674D+00  0.125108D+01
      3  -0.350129D+00  0.989766D+00
      4   0.278154D+00  0.806559D+00
      5   0.102887D+01  0.240977D+00
      6   0.321857D+01 -0.473684D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x         -0.196944D+01     -0.500581D+01     -0.166976D+02
   y          0.818548D+00      0.208054D+01      0.693994D+01
   z          0.130346D+00      0.331305D+00      0.110512D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.546564D+02      0.809924D+01      0.901162D+01
   yx        -0.115539D+01     -0.171211D+00     -0.190498D+00
   yy         0.565124D+02      0.837427D+01      0.931763D+01
   zx        -0.526764D+00     -0.780583D-01     -0.868516D-01
   zy        -0.603703D+00     -0.894596D-01     -0.995372D-01
   zz         0.412617D+02      0.611436D+01      0.680314D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556419D+02      0.824528D+01      0.917411D+01
   aniso      0.156814D+02      0.232375D+01      0.258552D+01
   xx         0.598907D+02      0.887488D+01      0.987463D+01
   yx        -0.108443D+01     -0.160696D+00     -0.178798D+00
   yy         0.616902D+02      0.914154D+01      0.101713D+02
   zx        -0.404666D+00     -0.599653D-01     -0.667204D-01
   zy        -0.546222D+00     -0.809418D-01     -0.900599D-01
   zz         0.453449D+02      0.671942D+01      0.747636D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.69331513         -2.64205114          1.60562862
     6          0.39873011         -0.71668640          1.14367371
     6          0.33292046          0.26468966         -1.59887574
     8         -0.07488828         -1.07544357         -3.38344942
     7          0.41460922          1.43496845          2.90440186
     8          0.83822232          2.73265519         -1.81446825
     1          2.23119114         -1.65856144          1.31066248
     1         -1.48585385         -3.49873772          3.46899664
     1         -3.54461588         -1.73251840          1.50460995
     1         -1.63870072         -4.11799966          0.17469475
     1         -1.35445702          1.83352113          3.52217324
     1          1.50278487          1.09733708          4.43765136
     1          1.05069201          3.33878048         -0.06881541

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.213675D+01      0.543108D+01      0.181161D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.427656D+02      0.633721D+01      0.705110D+01
   yx         0.441142D+01      0.653704D+00      0.727344D+00
   yy         0.539390D+02      0.799294D+01      0.889334D+01
   zx        -0.346574D-01     -0.513569D-02     -0.571423D-02
   zy         0.155618D+01      0.230602D+00      0.256579D+00
   zz         0.557258D+02      0.825771D+01      0.918794D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.556419D+02      0.824528D+01      0.917411D+01
   aniso      0.156814D+02      0.232375D+01      0.258552D+01
   xx         0.471053D+02      0.698028D+01      0.776661D+01
   yx         0.488816D+01      0.724351D+00      0.805949D+00
   yy         0.589340D+02      0.873312D+01      0.971691D+01
   zx        -0.203705D+00     -0.301859D-01     -0.335863D-01
   zy         0.155730D+01      0.230768D+00      0.256764D+00
   zz         0.608864D+02      0.902243D+01      0.100388D+02

 ----------------------------------------------------------------------
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 0000059\\\@


 THERE ARE PEOPLE SO ADDICTED TO EXAGERATING THEY
 CAN'T TELL THE TRUTH WITHOUT LYING. -- FORTUNE COOKIE
 Job cpu time:       0 days  2 hours  6 minutes 42.7 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 55.2 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:23:38 2021.
